CANADIAN MACROMOLECULAR CRYSTALLOGRAPHY FACILITY

Publications | Peer-Reviewed Article Entries

2024

  • Adachi, Kaoru; Manabe, Tomoyuki; Yamasaki, Takayuki; Suma, Akira; Orita, Takuya et al. (2024). Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorganic and Medicinal Chemistry Letters 110, 129864. 10.1016/j.bmcl.2024.129864. [PDB: 8zh4]
  • Aguilar, Eric N.; Sagar, Satish; Murray, Brandy R.; Rajesh, Christabelle; Lei, Eric K. et al. (2024). Structural Basis for Multivalent MUC16 Recognition and Robust Anti-Pancreatic Cancer Activity of Humanized Antibody AR9.6. Molecular Cancer Therapeutics 23(6) , 836-853. 10.1158/1535-7163.mct-23-0868. [PDB: 8gkk, 8gkl]
  • Ali, Mohamed G.; Wahba, Haytham M.; Igelmann, Sebastian; Cyr, Normand; Ferbeyre, Gerardo et al. (2024). Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR. Autophagy . 10.1080/15548627.2024.2353443. [PDB: 8t33, 8t4t]
  • Bissegger, Lukas; Constantin, Theodora A.; Keles, Erhan; Raguž, Luka; Barlow-Busch, Isobel et al. (2024). Rapid, potent, and persistent covalent chemical probes to deconvolute PI3Kα signaling. Chemical Science . 10.1039/d4sc05459h. [PDB: 8twy]
  • Cottrell, Kevin M.; Briggs, Kimberly J.; Whittington, Douglas A.; Jahic, Haris; Ali, Janid A. et al. (2024). Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP-Deleted Cancers. Journal of Medicinal Chemistry 67(8) , 6064-6080. 10.1021/acs.jmedchem.4c00133. [PDB: 8veu]
  • Cummer, Rebecca; Grosjean, Félix; Bolteau, Raphaël; Vasegh, Seyed Ehsan; Veyron, Simon et al. (2024). Structure-activity relationship of inositol thiophosphate analogs as allosteric activators of Clostridioides difficile toxin B. Applied Spectroscopy Reviews . 10.26434/chemrxiv-2024-2cf6g-v2. [PDB: 9bja]
  • Daniel-Ivad, Phillip; Ryan, Katherine S. (2024). An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine. Journal of Biological Chemistry , 105642. 10.1016/j.jbc.2024.105642.
  • Després, Philippe C.; Dubé, Alexandre K.; Picard, Marie-Ève; Grenier, Jordan; Shi, Rong et al. (2024). Compensatory mutations potentiate constructive neutral evolution by gene duplication. Science 385(6710) , 770-775. 10.1126/science.ado5719. [PDB: 8vll, 8vlm]
  • Folger, Ines B.; Frota, Natália F.; Pistofidis, Angelos; Niquille, David L.; Hansen, Douglas A. et al. (2024). High-throughput reprogramming of an NRPS condensation domain. Nature Chemical Biology . 10.1038/s41589-023-01532-x. [PDB: 8f7f]
  • Golisch, Benedikt; Cordeiro, Rosa Lorizolla; Fraser, Alexander S.C.; Briggs, Jonathon; Stewart, William A. et al. (2024). The molecular basis of cereal mixed-linkage β-glucan utilization by the human gut bacterium Segatella copri. Journal of Biological Chemistry 300(9) , 107625. 10.1016/j.jbc.2024.107625. [PDB: 9bal, 9bmk]
  • Gruninger, Robert J.; Kevorkova, Maya; Low, Kristin E.; Jones, Darryl R.; Worrall, Liam et al. (2024). Structural, Biochemical, and Phylogenetic Analysis of Bacterial and Fungal Carbohydrate Esterase Family 15 Glucuronoyl Esterases in the Rumen. Protein Journal 43(4) , 910-922. 10.1007/s10930-024-10221-0. [PDB: 8tru, 8trx, 8tse]
  • He, Liqi; Zhang, Meng Yao; Cox, Matthew; Zhang, Qian; Donnell, Andrew F. et al. (2024). Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. ACS Medicinal Chemistry Letters 15(2) , 189-196. 10.1021/acsmedchemlett.3c00456. [PDB: 8s9h]
  • Hsiao, Yi-Chun; Wallweber, Heidi Ackerly; Alberstein, Robert G.; Lin, Zhonghua; Du, Changchun et al. (2024). Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining. Nature Communications 15(1) . 10.1038/s41467-024-52442-y. [PDB: 8t59]
  • Ide, Danilo; Gorelik, Alexei; Illes, Katalin; Nagar, Bhushan (2024). Structural Analysis of Mammalian Sialic Acid Esterase. Journal of Molecular Biology 436(22) , 168801. 10.1016/j.jmb.2024.168801. [PDB: 8f9o]
  • Ireland, Kendra A.; Kayrouz, Chase M.; Abbott, Marissa L.; Seyedsayamdost, Mohammad R.; Davis, Katherine M. et al. (2024). Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA. Structure . 10.1016/j.str.2024.08.006. [PDB: 8vig, 8vih]
  • Kassardjian, Audrey; Ivanochko, Danton; Barber, Brian; Jetha, Arif; Julien, Jean-Philippe et al. (2024). Humanization of Pan-HLA-DR mAb 44H10 Hinges on Critical Residues in the Antibody Framework. Antibodies 13(3) , 57. 10.3390/antib13030057. [PDB: 9b7b]
  • Ketcham, John M.; Harwood, Stephen J.; Aranda, Ruth; Aloiau, Athenea N.; Bobek, Briana M. et al. (2024). Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.4c00078. [PDB: 8v8h]
  • Li, Franco K. K.; Worrall, Liam J.; Gale, Robert T.; Brown, Eric D.; Strynadka, Natalie C. J. et al. (2024). Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance. Science advances 10(9) . 10.1126/sciadv.adj3864. [PDB: 8v33]
  • Perez-Bermejo, Juan A.; Efagene, Oghene; Matern, William M.; Holden, Jeffrey K.; Kabir, Shaheen et al. (2024). Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nature Communications 15(1) . 10.1038/s41467-024-46816-5. [PDB: 8svg, 8svh, 8svi]
  • Puumala, Emily; Sychantha, David; Lach, Elizabeth; Reeves, Shawn; Nabeela, Sunna et al. (2024). Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-β-thiophenylacrylamides exerts highly selective antifungal activity. Cell Chemical Biology . 10.1016/j.chembiol.2024.01.010. [PDB: 8uk6]
  • Sauvé, Véronique; Stefan, Eric; Croteau, Nathalie; Goiran, Thomas; Fakih, Rayan et al. (2024). Activation of parkin by a molecular glue. Nature Communications 15(1) . 10.1038/s41467-024-51889-3. [PDB: 8w31]
  • Schroeter, Kurt L.; Rolfe, Nicolas; Forrester, Taylor J.B.; Kimber, Matthew S.; Seah, Stephen Y.K. et al. (2024). Shy is a proteobacterial steroid hydratase which catalyzes steroid side chain degradation without requiring a catalytically inert partner domain. Journal of Biological Chemistry 300(8) , 107509. 10.1016/j.jbc.2024.107509. [PDB: 8vwr]
  • Xu, Shangyi; Grochulski, Pawel; Tanaka, Takuji (2024). Structural basis for the allosteric behaviour and substrate specificity of Lactococcus lactis Prolidase. Biochimica et Biophysica Acta - Proteins and Proteomics 1872(3) , 141000. 10.1016/j.bbapap.2024.141000.
  • Zheng, Xiaozhang; Ji, Nan; Campbell, Veronica; Slavin, Anthony; Zhu, Xiao et al. (2024). Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.4c01305. [PDB: 9cuo]
  • Zhu, Yuao; Yurgelonis, Irina; Noell, Stephen; Yang, Qingyi; Guan, Shunjie et al. (2024). In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Science advances 10(30) . 10.1126/sciadv.adl4013. [PDB: 9aum]

2023

  • Bailey-Elkin, Ben A.; Knaap, Robert C. M.; De Silva, Anuradha; Boekhoud, Ilse M.; Mous, Sandra et al. (2023). Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis. PLoS Pathogens 19(12) , e1011872. 10.1371/journal.ppat.1011872. [PDB: 8ehn]
  • Chen, Meixia; Wang, Zhuowen; Li, Weiguo; Chen, Yichang; Xiao, Qin et al. (2023). Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist. Biochimica et Biophysica Acta - Gene Regulatory Mechanisms 1866(3) , 194962. 10.1016/j.bbagrm.2023.194962. [PDB: 8jtn]
  • Chew, Kylie S.; Wells, Robert C.; Moshkforoush, Arash; Chan, Darren; Lechtenberg, Kendra J. et al. (2023). CD98hc is a target for brain delivery of biotherapeutics. Nature Communications 14(1) . 10.1038/s41467-023-40681-4. [PDB: 8g0m]
  • Colautti, Jake; Bullen, Nathan P.; Whitney, John C. (2023). Lack of evidence that Pseudomonas aeruginosa AmpDh3‐PA0808 constitute a type VI secretion system effector–immunity pair. Molecular Microbiology . 10.1111/mmi.15021. [PDB: 8es5]
  • Cole, Andrew G.; Kultgen, Steven G.; Mani, Nagraj; Quintero, Jorge G.; Yi Fan, Kristi et al. (2023). Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorganic and Medicinal Chemistry Letters 94, 129456. 10.1016/j.bmcl.2023.129456. [PDB: 8gbu]
  • Doyle, Liam; Ovchinnikova, Olga G.; Huang, Bo-Shun; Forrester, Taylor J.B.; Lowary, Todd L. et al. (2023). Mechanism and linkage specificities of the dual retaining β-Kdo glycosyltransferase modules of KpsC from bacterial capsule biosynthesis. Journal of Biological Chemistry , 104609. 10.1016/j.jbc.2023.104609. [PDB: 8fuw, 8fux]
  • Duvall, Jeremy R.; Thomas, Joshua D.; Bukhalid, Raghida A.; Catcott, Kalli C.; Bentley, Keith W. et al. (2023). Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c00907. [PDB: 8sth]
  • Gui, Wenjun; Hang, Yumo; Cheng, Wang; Gao, Minqi; Wu, Jiaquan et al. (2023). Structural basis of CDK3 activation by cyclin E1 and inhibition by dinaciclib. Biochemical and Biophysical Research Communications 662, 126-134. 10.1016/j.bbrc.2023.04.026.
  • Kalliokoski, Tuomo; Kettunen, Henna; Kumpulainen, Esa; Kettunen, Emilia; Thieulin-Pardo, Gabriel et al. (2023). Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorganic and Medicinal Chemistry Letters 94, 129450. 10.1016/j.bmcl.2023.129450. [PDB: 8p1t, 8p1v]
  • Kattar, Solomon D.; Gulati, Anmol; Margrey, Kaila A.; Keylor, Mitchell H.; Ardolino, Michael et al. (2023). Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson’s Disease. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c01486. [PDB: 8six]
  • Mathieu, Sophie; Touvrey, Mélanie; Poulet, Laurent; Drouillard, Sophie; Ulaganathan, Thirumalai Selvi et al. (2023). The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations. Computerized Medical Imaging and Graphics . 10.1101/2023.03.30.534863. [PDB: 8ep4, 8ew1]
  • Michino, Mayako; Beautrait, Alexandre; Boyles, Nicholas A.; Nadupalli, Aparna; Dementiev, Alexey et al. (2023). Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. ACS Bio and Med Chem Au 3(6) , 507-515. 10.1021/acsbiomedchemau.3c00046. [PDB: 8u0q]
  • Richardson-Sanchez, Tomas; Chan, Anson C. K.; Sabatino, Brendil; Lin, Helen; Gaynor, Erin C. et al. (2023). Dissecting components of theCampylobacter jejuni fetMP-fetABCDEFgene cluster in iron scavenging. Tribology Letters . 10.1101/2023.07.05.547857. [PDB: 8t4c]
  • Shen, Yi; Wen, Yurong; Sposini, Silvia; Vishwanath, Anjali Amrapali; Abdelfattah, Ahmed S. et al. (2023). Rational Engineering of an Improved Genetically Encoded pH Sensor Based on Superecliptic pHluorin. ACS Sensors . 10.1021/acssensors.3c00484. [PDB: 7yv3, 7yv5]
  • Smith, Christopher R.; Chen, Dan; Christensen, James G.; Coulombe, René; Féthière, James et al. (2023). Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. Journal of Medicinal Chemistry 67(1) , 774-781. 10.1021/acs.jmedchem.3c02140. [PDB: 8t5g, 8t5m, 8t5r]
  • Thai, Elaine; Murugan, Rajagopal; Binter, Špela; Burn Aschner, Clare; Prieto, Katherine et al. (2023). Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Reports 42(11) , 113330. 10.1016/j.celrep.2023.113330. [PDB: 8fb5]
  • Varkaris, Andreas; Pazolli, Ermira; Gunaydin, Hakan; Wang, Qi; Pierce, Levi et al. (2023). Discovery and clinical proof-of-concept of RLY-2608, a first-in-class mutant-selective allosteric PI3Ka inhibitor that decouples anti-tumor activity from hyperinsulinemia. Cancer Discovery . 10.1158/2159-8290.cd-23-0944. [PDB: 8ts7]
  • Yang, Zemin; Johnson, Bryan A.; Meliopoulos, Victoria A.; Ju, Xiaohui; Zhang, Peipei et al. (2023). Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication. npj Computational Materials . 10.1101/2023.06.29.546885. [PDB: 8th7]

2022

  • Borsari, Chiara; Keles, Erhan; McPhail, Jacob A.; Schaefer, Alexander; Sriramaratnam, Rohitha et al. (2022). Covalent Proximity Scanning of a Distal Cysteine to Target PI3Kα. Journal of the American Chemical Society 144(14) . 10.1021/jacs.1c13568. [PDB: 7r9v, 7r9y]
  • Bullen, Nathan P.; Sychantha, David; Thang, Stephanie S.; Culviner, Peter H.; Rudzite, Marta et al. (2022). An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs. Molecular Cell 82(18) , 3484-3498.e11. 10.1016/j.molcel.2022.08.015.
  • Candito, David A.; Simov, Vladimir; Gulati, Anmol; Kattar, Solomon; Chau, Ryan W. et al. (2022). Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1H-Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson’s Disease. Journal of Medicinal Chemistry 65(24) , 16801-16817. 10.1021/acs.jmedchem.2c01605. [PDB: 8e80]
  • Cook, Jonathan D.; Khondker, Adree; Lee, Jeffrey E. (2022). Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies. Communications Biology 5(1) . 10.1038/s42003-022-03235-w. [PDB: 7n04, 7n05, 7n07, 7n08]
  • Fedoretz-Maxwell, Brooklyn P.; Shin, Catherine H.; MacNeil, Gregory A.; Worrall, Liam J.; Park, Rachel et al. (2022). The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorganic Chemistry 61(14) , 5563-5571. 10.1021/acs.inorgchem.2c00030. [PDB: 7tc5]
  • Forrester, Taylor J. B.; Ovchinnikova, Olga G.; Li, Zhixiong; Kitova, Elena N.; Nothof, Jeremy T. et al. (2022). The retaining β-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nature Communications 13(1) . 10.1038/s41467-022-33988-1. [PDB: 8csb, 8csc, 8csd, 8cse, 8csf]
  • Fortinez, Camille Marie; Bloudoff, Kristjan; Harrigan, Connor; Sharon, Itai; Strauss, Mike et al. (2022). Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module. Nature Communications 13(1) . 10.1038/s41467-022-28221-y. [PDB: 7ly6, 7ly7]
  • Goedken, Eric R.; Argiriadi, Maria A.; Dietrich, Justin D.; Petros, Andrew M.; Krishnan, Navasona et al. (2022). Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Scientific Reports 12(1) . 10.1038/s41598-022-18760-1. [PDB: 8dyg]
  • Hallett, Robin M.; Bonfill-Teixidor, Ester; Iurlaro, Raffaella; Arias, Alexandra; Raman, Swetha et al. (2022). Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment. Clinical Cancer Research 29(4) , 791-804. 10.1158/1078-0432.ccr-21-1888.
  • Kim, Hyeong Jin; Black, Mazzen; Edwards, Ross A.; Peillard-Fiorente, Flora; Panigrahi, Rashmi et al. (2022). Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones. Nature Communications 13(1) . 10.1038/s41467-022-34875-5. [PDB: 7rgt]
  • Kozlov, Guennadi; Mattijssen, Sandy; Jiang, Jianning; Nyandwi, Samuel; Sprules, Tara et al. (2022). Structural basis of 3′-end poly(A) RNA recognition by LARP1. Nucleic Acids Research 50(16) , 9534-9547. 10.1093/nar/gkac696. [PDB: 7soo, 7sop]
  • Li, Kunhua; Tokareva, Olena S.; Thomson, Ty M.; Wahl, Sebastian C. T.; Travaline, Tara L. et al. (2022). De novo mapping of α-helix recognition sites on protein surfaces using unbiased libraries. Proceedings of the National Academy of Sciences of the United States of America 119(52) . 10.1073/pnas.2210435119. [PDB: 7uwi]
  • Luan, Xiaodong; Li, Xinming; Li, Yufan; Su, Gengchen; Yin, Wanchao et al. (2022). Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Science Bulletin 67(22) , 2327-2335. 10.1016/j.scib.2022.10.021. [PDB: 7xwz]
  • Naidu, B. Narasimhulu; Patel, Manoj; McAuliffe, Brian; Ding, Bo; Cianci, Christopher et al. (2022). Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. Journal of Medicinal Chemistry 65(6) , 4949-4971. 10.1021/acs.jmedchem.1c02169. [PDB: 7t9o]
  • Nguyen, Peter; Eshaque, Rony; Garland, Barbara Anne; Dang, Anthony; Suits, Michael D. L. et al. (2022). Degradation of chondroitin sulfate A by a PUL-like operon in Tannerella forsythia. PLoS ONE 17(9) , e0272904. 10.1371/journal.pone.0272904. [PDB: 8di0, 8di1]
  • Parcella, Kyle; Wang, Tao; Eastman, Kyle; Zhang, Zhongxing; Yin, Zhiwei et al. (2022). Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. ACS Medicinal Chemistry Letters 13(6) , 972-980. 10.1021/acsmedchemlett.2c00115. [PDB: 7uoq]
  • Rasool, Shafqat; Veyron, Simon; Soya, Naoto; Eldeeb, Mohamed A.; Lukacs, Gergely L. et al. (2022). Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex. Molecular Cell 82(1) , 44-59. 10.1016/j.molcel.2021.11.012.
  • Tao, Xuan; Zhang, Lu; Du, Liubing; Lu, Kai; Zhao, Zhennan et al. (2022). Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol. Journal of Inorganic Biochemistry 231, 111777. 10.1016/j.jinorgbio.2022.111777.
  • Taylor, Alexander M.; Bailey, Chris; Belmont, Lisa D.; Campbell, Robert; Cantone, Nico et al. (2022). GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. Journal of Medicinal Chemistry 65(16) , 11177-11186. 10.1021/acs.jmedchem.2c00662. [PDB: 7td9]
  • White, Brandy; Patterson, Michelle; Karnwal, Saloni; Brooks, Cory L. (2022). Crystal structure of a human MUC16 SEA domain reveals insight into the nature of the CA125 tumor marker. Proteins: Structure. Function and Bioinformatics 90(5) . 10.1002/prot.26303. [PDB: 7sa9]
  • Wilding, Birgit; Scharn, Dirk; Böse, Dietrich; Baum, Anke; Santoro, Valeria et al. (2022). Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling. Nature Cancer 3(7) , 821-836. 10.1038/s43018-022-00412-y. [PDB: 7pcd]

2021

  • Akaki, Tatsuo; Bessho, Yuki; Ito, Takashi; Fujioka, Shingo; Ubukata, Minoru et al. (2021). Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorganic and Medicinal Chemistry 44, 116283. 10.1016/j.bmc.2021.116283. [PDB: 7ebb]
  • Bateman, Thomas J.; Shah, Megha; Ho, Timothy Pham; Shin, Hyejin Esther; Pan, Chuxi et al. (2021). A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii. Nature Communications 12(1) . 10.1038/s41467-021-26545-9. [PDB: 7re4, 7rea, 7red]
  • Beshore, Douglas C.; Adam, Gregory C.; Barnard, Richard J. O.; Burlein, Christine; Gallicchio, Steven N. et al. (2021). Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction. ACS Medicinal Chemistry Letters 12(4) , 540-547. 10.1021/acsmedchemlett.1c00074. [PDB: 7ltg]
  • Boddington, Kelly F.; Soubeyrand, Eric; Van Gelder, Kristen; Casaretto, José A.; Perrin, Colby et al. (2021). Bibenzyl synthesis in Cannabis sativa L.. Plant Journal 109(3) . 10.1111/tpj.15588. [PDB: 7sgy]
  • Casimiro-Garcia, Agustin; Allais, Christophe; Brennan, Agnes; Choi, Chulho; Dower, Gabriela et al. (2021). Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. Journal of Medicinal Chemistry 65(1) , 757-784. 10.1021/acs.jmedchem.1c01849. [PDB: 7sly]
  • Chen, Shuo; Wu, Jia-Le; Liang, Ying; Tang, Yi-Gang; Song, Hua-Xin et al. (2021). Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell 39(2) . 10.1016/j.ccell.2020.11.013. [PDB: 7dhz]
  • Chen, Yu Seby; Kozlov, Guennadi; Moeller, Brandon E.; Rohaim, Ahmed; Fakih, Rayan et al. (2021). Crystal structure of an archaeal CorB magnesium transporter. Nature Communications 12(1) . 10.1038/s41467-021-24282-7. [PDB: 7m1t, 7m1u]
  • Chung, Ivy Y. W.; Li, Lei; Tyurin, Oleg; Gagarinova, Alla; Wibawa, Raissa et al. (2021). Structural and functional study of Legionella pneumophila effector RavA. Protein Science 30(5) . 10.1002/pro.4057. [PDB: 6wo6]
  • Davies, Christopher W.; Stowe, Irma; Phung, Qui T.; Ho, Hoangdung; Bakalarski, Corey E. et al. (2021). Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function. Proceedings of the National Academy of Sciences of the United States of America 118(12) , e2018024118. 10.1073/pnas.2018024118. [PDB: 7jwq]
  • Dragovich, Peter S.; Pillow, Thomas H.; Blake, Robert A.; Sadowsky, Jack D.; Adaligil, Emel et al. (2021). Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. Journal of Medicinal Chemistry 64(5) . 10.1021/acs.jmedchem.0c01846. [PDB: 7khl]
  • Ereño-Orbea, June; Liu, Xianglei; Sicard, Taylor; Kucharska, Iga; Li, Wei et al. (2021). Structural details of monoclonal antibody m971 recognition of the membrane-proximal domain of CD22. Journal of Biological Chemistry 297(2) , 100966. 10.1016/j.jbc.2021.100966. [PDB: 7o4y, 7o52]
  • Freibert, Sven-A.; Boniecki, Michal T.; Stümpfig, Claudia; Schulz, Vinzent; Krapoth, Nils et al. (2021). N-terminal tyrosine of ISCU2 triggers [2Fe-2S] cluster synthesis by ISCU2 dimerization. Nature Communications 12(1) . 10.1038/s41467-021-27122-w.
  • Gavai, Ashvinikumar V.; Norris, Derek; Delucca, George; Tortolani, David; Tokarski, John S. et al. (2021). Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. Journal of Medicinal Chemistry 64(19) . 10.1021/acs.jmedchem.1c00625. [PDB: 5s9r]
  • Golkar, Tolou; Bassenden, Angelia V.; Maiti, Krishnagopal; Arya, Dev P.; Schmeing, T. Martin et al. (2021). Structural basis for plazomicin antibiotic action and resistance. Communications Biology 4(1) . 10.1038/s42003-021-02261-4. [PDB: 6vou, 7lh5]
  • Guo, Shuaiqi; Vance, Tyler D. R.; Zahiri, Hossein; Eves, Robert; Stevens, Corey et al. (2021). Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation. mBio 12(2) . 10.1128/mbio.00130-21. [PDB: 6x7j, 6x7t, 6x7y, 6x7z, 6x8a, 6x8d, 6x8y, 6x95, 6x9m, 6x9p, 6xa5, 6xaq]
  • Higgins, Melanie A.; Tegl, Gregor; MacDonald, Spencer S.; Arnal, Gregory; Brumer, Harry et al. (2021). N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes. ACS Chemical Biology 16(4) . 10.1021/acschembio.0c00995. [PDB: 7lqx, 7lr1]
  • Hill, Matthew D.; Quesnelle, Claude; Tokarski, John; Fang, Haiquan; Fanslau, Carolynn et al. (2021). Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorganic and Medicinal Chemistry Letters 51, 128376. 10.1016/j.bmcl.2021.128376. [PDB: 7mce]
  • Huang, Ji; Fraser, Marie E. (2021). Second distinct conformation of the phosphohistidine loop in succinyl-CoA synthetase. Acta Crystallographica Section D: Structural Biology 77(3) , 357-368. 10.1107/s2059798321000334. [PDB: 7jj0, 7jkr]
  • Hu, Carol H.; Neissel Valente, Meriah W.; Halpern, O. Scott; Jusuf, Sutjano; Khan, Javed A. et al. (2021). Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorganic and Medicinal Chemistry Letters 42, 128010. 10.1016/j.bmcl.2021.128010. [PDB: 7lag, 7lan]
  • Keylor, Mitchell H.; Gulati, Anmol; Kattar, Solomon D.; Johnson, Rebecca E.; Chau, Ryan W. et al. (2021). Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. Journal of Medicinal Chemistry 65(1) , 838-856. 10.1021/acs.jmedchem.1c01968. [PDB: 7suh]
  • Kuduk, Scott D.; Stoops, Bart; Alexander, Richard; Lam, Angela M.; Espiritu, Christine et al. (2021). Identification of a new class of HBV capsid assembly modulator. Bioorganic and Medicinal Chemistry Letters 39, 127848. 10.1016/j.bmcl.2021.127848. [PDB: 7k5m]
  • Kumar, Amit; Paul, Marilyn; Panda, Manoranjan; Jayaram, Shruthi; Kalidindi, Narasimharaju et al. (2021). Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology 31(10) . 10.1093/glycob/cwab072. [PDB: 7cxa]
  • Langston, Steven P.; Grossman, Stephen; England, Dylan; Afroze, Roushan; Bence, Neil et al. (2021). Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. Journal of Medicinal Chemistry 64(5) . 10.1021/acs.jmedchem.0c01491. [PDB: 6xog, 6xoh]
  • Li, Franco K.K.; Gale, Robert T.; Petrotchenko, Evgeniy V.; Borchers, Christoph H.; Brown, Eric D. et al. (2021). Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis. Journal of Structural Biology 213(2) , 107733. 10.1016/j.jsb.2021.107733. [PDB: 6xh9, 6xhk, 6xhp, 6xhq, 6xhr, 6xhs, 6xht]
  • Liu, Weifeng; Maben, Zachary; Wang, Carole; Lindquist, Kevin C.; Li, Manqing et al. (2021). Structural delineation and phase-dependent activation of the costimulatory CD27:CD70 complex. Journal of Biological Chemistry 297(4) , 101102. 10.1016/j.jbc.2021.101102. [PDB: 7kx0]
  • Majewski, Dorothy D.; Okon, Mark; Heinkel, Florian; Robb, Craig S.; Vuckovic, Marija et al. (2021). Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods. Structure 29(2) . 10.1016/j.str.2020.08.006. [PDB: 6xfj]
  • Mulligan, Vikram Khipple; Workman, Sean; Sun, Tianjun; Rettie, Stephen; Li, Xinting et al. (2021). Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1. Proceedings of the National Academy of Sciences of the United States of America 118(12) , e2012800118. 10.1073/pnas.2012800118. [PDB: 6xbe, 6xbf]
  • Naineni, Sai Kiran; Liang, Jason; Hull, Kenneth; Cencic, Regina; Zhu, Mingzhao et al. (2021). Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A. Cell Chemical Biology 28(6) . 10.1016/j.chembiol.2020.12.006. [PDB: 6xki]
  • Nasu, Yusuke; Murphy-Royal, Ciaran; Wen, Yurong; Haidey, Jordan N.; Molina, Rosana S. et al. (2021). A genetically encoded fluorescent biosensor for extracellular l-lactate. Nature Communications 12(1) . 10.1038/s41467-021-27332-2. [PDB: 7e9y]
  • Nilvebrant, Johan; Ereño-Orbea, June; Gorelik, Maryna; Julian, Mark C.; Tessier, Peter M. et al. (2021). Systematic Engineering of Optimized Autonomous Heavy-Chain Variable Domains. Journal of Molecular Biology 433(21) , 167241. 10.1016/j.jmb.2021.167241. [PDB: 7ooi]
  • Prasertanan, Theerawat; Palmer, David R.J.; Sanders, David A.R. (2021). Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85. Journal of Structural Biology 213(2) , 107744. 10.1016/j.jsb.2021.107744. [PDB: 7kz3, 7kz5, 7kz6, 7kzd]
  • Quiroz, Ryan V.; Reutershan, Michael H.; Schneider, Sebastian E.; Sloman, David; Lacey, Brian M. et al. (2021). The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. Journal of Medicinal Chemistry 64(7) , 3911-3939. 10.1021/acs.jmedchem.0c02083. [PDB: 7kib]
  • Rathinaswamy, Manoj K; Gaieb, Zied; Fleming, Kaelin D; Borsari, Chiara; Harris, Noah J et al. (2021). Disease-related mutations in PI3Kγ disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. eLife 10. 10.7554/elife.64691. [PDB: 7jwe, 7jwz, 7jx0]
  • Rutbeek, Nicole R.; Rezasoltani, Hanieh; Patel, Trushar R.; Khajehpour, Mazdak; Prehna, Gerd et al. (2021). Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. Journal of Biological Chemistry 297(3) , 100992. 10.1016/j.jbc.2021.100992.
  • Schenkel, Laurie B.; Molina, Jennifer R.; Swinger, Kerren K.; Abo, Ryan; Blackwell, Danielle J. et al. (2021). A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chemical Biology 28(8) . 10.1016/j.chembiol.2021.02.010. [PDB: 6we2]
  • Scholl, Connor L.; Tsuda, Sakae; Graham, Laurie A.; Davies, Peter L. (2021). Crystal waters on the nine polyproline type II helical bundle springtail antifreeze protein from Granisotoma rainieri match the ice lattice. FEBS Journal 288(14) . 10.1111/febs.15717. [PDB: 7jjv]
  • Schulte, Christie A.; Deaton, David N.; Diaz, Elsie; Do, Young; Gampe, Robert T. et al. (2021). A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorganic and Medicinal Chemistry Letters 47, 128113. 10.1016/j.bmcl.2021.128113. [PDB: 7jr6]
  • Shah, Megha; Taylor, Véronique L.; Bona, Diane; Tsao, Yvonne; Stanley, Sabrina Y. et al. (2021). A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa. Molecular Cell 81(3) , 571-583.e6. 10.1016/j.molcel.2020.12.011. [PDB: 6v7u, 6v7v]
  • Vatta, Maritza; Lyons, Bronwyn; Heney, Kayla A.; Lidster, Taylor; Merrill, A. Rod et al. (2021). Mapping the DNA-Binding Motif of Scabin Toxin, a Guanine Modifying Enzyme from Streptomyces scabies. Toxins 13(1) , 55. 10.3390/toxins13010055. [PDB: 6vuv, 6vv4, 6vvf]
  • Voth, Kevin; Pasricha, Shivani; Chung, Ivy Yeuk Wah; Wibawa, Rachelia R.; Zainudin, Engku Nuraishah Huda E. et al. (2021). Structural and Functional Characterization of Legionella pneumophila Effector MavL. Biomolecules 11(12) , 1802. 10.3390/biom11121802.
  • Wigle, Tim J.; Ren, Yue; Molina, Jennifer R.; Blackwell, Danielle J.; Schenkel, Laurie B. et al. (2021). Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. ChemBioChem 22(12) . 10.1002/cbic.202100047. [PDB: 7l9y]
  • Workman, Sean D.; Day, Jonathan; Farha, Maya A.; El Zahed, Sara S.; Bon, Chris et al. (2021). Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria. Journal of Medicinal Chemistry 64(18) , 13540–13550. 10.1021/acs.jmedchem.1c00941. [PDB: 7jli]
  • Yang, Yuhong; Xu, Yuanyuan; Yue, Yuan; Wang, Heng; Cui, Yumeng et al. (2021). Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents. ACS Chemical Biology 17(1) , 39-53. 10.1021/acschembio.1c00394. [PDB: 7ent, 7ev3]

2020

  • Ahmad, Shehryar; Tsang, Kara K; Sachar, Kartik; Quentin, Dennis; Tashin, Tahmid M et al. (2020). Structural basis for effector transmembrane domain recognition by type VI secretion system chaperones. eLife 9. 10.7554/elife.62816. [PDB: 6xrr]
  • Alonzo, Diego A.; Chiche-Lapierre, Clarisse; Tarry, Michael J.; Wang, Jimin; Schmeing, T. Martin et al. (2020). Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis. Nature Chemical Biology 16(5) . 10.1038/s41589-020-0481-5. [PDB: 6ulz]
  • Anderson, Alexander C.; Burnett, Alysha J.N.; Hiscock, Lana; Maly, Kenneth E.; Weadge, Joel T. et al. (2020). The Escherichia coli cellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase. Journal of Biological Chemistry 295(18) , 6225-6235. 10.1074/jbc.ra119.011668. [PDB: 6pcz, 6pd0]
  • Beenstock, Jonah; Ona, Samara Mishelle; Porat, Jennifer; Orlicky, Stephen; Wan, Leo C. K. et al. (2020). A substrate binding model for the KEOPS tRNA modifying complex. Nature Communications 11(1) . 10.1038/s41467-020-19990-5. [PDB: 7kju]
  • Chan, Anson C K; Lin, Helen; Koch, Doreen; Grass, Gregor; Nies, Dietrich H et al. (2020). A copper site is required for iron transport by the periplasmic proteins P19 and FetP. Metallomics 12(10) , 1530-1541. 10.1039/d0mt00130a.
  • Chen, Yu Seby; Kozlov, Guennadi; Fakih, Rayan; Yang, Meng; Zhang, Zhidian et al. (2020). Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter. Structure 28(3) . 10.1016/j.str.2019.11.016. [PDB: 6n7e]
  • Chung, Chun-wa; Dai, Han; Fernandez, Esther; Tinworth, Christopher P.; Churcher, Ian et al. (2020). Structural Insights into PROTAC-Mediated Degradation of Bcl-xL. ACS Chemical Biology 15(9) . 10.1021/acschembio.0c00266. [PDB: 6zhc]
  • Dong, Cheng; Chen, Shun-Jia; Melnykov, Artem; Weirich, Sara; Sun, Kelly et al. (2020). Recognition of nonproline N-terminal residues by the Pro/N-degron pathway. Proceedings of the National Academy of Sciences of the United States of America 117(25) , 14158-14167. 10.1073/pnas.2007085117. [PDB: 6wzz]
  • Dong, Cheng; Nakagawa, Reiko; Oyama, Kyohei; Yamamoto, Yusuke; Zhang, Weilian et al. (2020). Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19. eLife 9. 10.7554/elife.58675. [PDB: 6wat, 6wau]
  • Ferri, Elena; Le Thomas, Adrien; Wallweber, Heidi Ackerly; Day, Eric S.; Walters, Benjamin T. et al. (2020). Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nature Communications 11(1) . 10.1038/s41467-020-19974-5. [PDB: 6w3b, 6w3c]
  • Fodje, Michel; Mundboth, Kiran; Labiuk, Shaunivan; Janzen, Kathryn; Gorin, James et al. (2020). Macromolecular crystallography beamlines at the Canadian Light Source: building on success. Acta Crystallographica Section D: Structural Biology 76(7) . 10.1107/s2059798320007603.
  • Gagarina, Varvara; Bojagora, Anna; Lacdao, Ira Kay; Luthra, Niharika; Pfoh, Roland et al. (2020). Structural Basis of the Interaction Between Ubiquitin Specific Protease 7 and Enhancer of Zeste Homolog 2. Journal of Molecular Biology 432(4) . 10.1016/j.jmb.2019.12.026. [PDB: 6p5l]
  • Geiger, Michael; Brown, Chris; Wichers, Jan Stephan; Strauss, Jan; Lill, Andrés et al. (2020). Structural Insights Into PfARO and Characterization of its Interaction With PfAIP. Journal of Molecular Biology 432(4) . 10.1016/j.jmb.2019.12.024.
  • Gorelik, Alexei; Labriola, Jonathan M.; Illes, Katalin; Nagar, Bhushan (2020). Crystal structure of the nucleotide‐metabolizing enzyme NTPDase4. Protein Science 29(10) . 10.1002/pro.3926. [PDB: 6wg5]
  • Grant, Benjamin M. M.; Enomoto, Masahiro; Back, Sung-In; Lee, Ki-Young; Gebregiworgis, Teklab et al. (2020). Calmodulin disrupts plasma membrane localization of farnesylated KRAS4b by sequestering its lipid moiety. Science Signaling 13(625) , eaaz0344. 10.1126/scisignal.aaz0344. [PDB: 6os4]
  • Harikrishnan, Lalgudi S.; Gill, Patrice; Kamau, Muthoni G.; Qin, Lan-Ying; Ruan, Zheming et al. (2020). Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (RORγt) agonists. Bioorganic and Medicinal Chemistry Letters 30(12) , 127204. 10.1016/j.bmcl.2020.127204. [PDB: 6xae]
  • Huhn, Annissa J.; Gardberg, Anna S.; Poy, Florence; Brucelle, Francois; Vivat, Valerie et al. (2020). Early Drug‐Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. ChemMedChem 15(11) . 10.1002/cmdc.202000007. [PDB: 6v8n]
  • Hu, Zilun; Wang, Cailan; Glunz, Peter W.; Li, Julia; Cheadle, Nathan L. et al. (2020). Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorganic and Medicinal Chemistry Letters 30(21) , 127495. 10.1016/j.bmcl.2020.127495. [PDB: 7jou]
  • Li, Franco K.K.; Rosell, Federico I.; Gale, Robert T.; Simorre, Jean-Pierre; Brown, Eric D. et al. (2020). Crystallographic analysis of Staphylococcus aureus LcpA, the primary wall teichoic acid ligase. Journal of Biological Chemistry 295(9) , 2629-2639. 10.1074/jbc.ra119.011469. [PDB: 6uex, 6uf3, 6uf5, 6uf6]
  • Liu, Jian; Yu, Younong; Kelly, Joseph; Sha, Deyou; Alhassan, Abdul-Basit et al. (2020). Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. ACS Medicinal Chemistry Letters 11(12) , 2476-2483. 10.1021/acsmedchemlett.0c00462. [PDB: 7kbg]
  • Lu, Xiaocen; Wen, Yurong; Zhang, Shuce; Zhang, Wei; Chen, Yilun et al. (2020). Improved Photocleavable Proteins with Faster and More Efficient Dissociation. Journal of Nanoparticle Research . 10.1101/2020.12.10.419556. [PDB: 7dmx, 7dna, 7dnb]
  • Majdi Yazdi, Mohadeseh; Saran, Sagar; Mrozowich, Tyler; Lehnert, Cheyanne; Patel, Trushar R. et al. (2020). Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase. Journal of Structural Biology 209(1) . 10.1016/j.jsb.2019.107409. [PDB: 6tzu, 6u01]
  • Manenda, Mahder S.; Picard, Marie-Ève; Zhang, Liping; Cyr, Normand; Zhu, Xiaojun et al. (2020). Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations. Journal of Biological Chemistry 295(14) , jbc.RA119.011212. 10.1074/jbc.ra119.011212. [PDB: 6u0p, 6u0s]
  • Mascle, Xavier H.; Gagnon, Christina; Wahba, Haytham M.; Lussier-Price, Mathieu; Cappadocia, Laurent et al. (2020). Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner. Structure 28(2) . 10.1016/j.str.2019.11.019. [PDB: 6uyo, 6uyp, 6uyq, 6uyr, 6uyu, 6uyz]
  • Mendoza, Matthew N.; Jian, Mike; King, Moeko T.; Brooks, Cory L. (2020). Role of a noncanonical disulfide bond in the stability, affinity, and flexibility of a VHH specific for the Listeria virulence factor InlB. Protein Science 29(4) , 1004-1017. 10.1002/pro.3831. [PDB: 6u12, 6u14]
  • Mitcheltree, Matthew J.; Li, Derun; Achab, Abdelghani; Beard, Adam; Chakravarthy, Kalyan et al. (2020). Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. ACS Medicinal Chemistry Letters 11(4) , 582-588. 10.1021/acsmedchemlett.0c00058. [PDB: 6v7c]
  • Murugan, Rajagopal; Scally, Stephen W.; Costa, Giulia; Mustafa, Ghulam; Thai, Elaine et al. (2020). Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nature Medicine 26(7) . 10.1038/s41591-020-0881-9. [PDB: 6ulf]
  • Noach, Ilit; Boraston, Alisdair B (2020). Structural evidence for a proline-specific glycopeptide recognition domain in an O-glycopeptidase. Glycobiology 31(4) . 10.1093/glycob/cwaa095. [PDB: 7jtv]
  • Palte, Rachel L.; Schneider, Sebastian E.; Altman, Michael D.; Hayes, Robert P.; Kawamura, Shuhei et al. (2020). Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). ACS Medicinal Chemistry Letters 11(9) . 10.1021/acsmedchemlett.9b00525. [PDB: 6uxy]
  • Petrilli, Whitney L.; Adam, Gregory C.; Erdmann, Roman S.; Abeywickrema, Pravien; Agnani, Vijayalakshmi et al. (2020). From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chemical Biology 27(1) , 32-40. 10.1016/j.chembiol.2019.10.002. [PDB: 6u36]
  • Ramasubramanian, Anusuya; Tennyson, Rachel; Magnay, Maureen; Kathuria, Sagar; Travaline, Tara et al. (2020). Bringing the Heavy Chain to Light: Creating a Symmetric, Bivalent IgG-Like Bispecific. Antibodies 9(4) , 62. 10.3390/antib9040062. [PDB: 7jkb]
  • Scott, William; Lowrance, Brian; Anderson, Alexander C.; Weadge, Joel T. (2020). Identification of the Clostridial cellulose synthase and characterization of the cognate glycosyl hydrolase, CcsZ. PLoS ONE 15(12) , e0242686. 10.1371/journal.pone.0242686. [PDB: 6uje, 6ujf]
  • Sokaribo, Akosiererem; Novakovski, Brian A.A.; Cotelesage, Julien; White, Aaron P.; Sanders, David et al. (2020). Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochimica et Biophysica Acta - General Subjects 1864(4) , 129517. 10.1016/j.bbagen.2020.129517. [PDB: 6v2l, 6v2m, 6v2n]
  • Stachel, Shawn J.; Ginnetti, Anthony T.; Johnson, Scott A.; Cramer, Paige; Wang, Yi et al. (2020). Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorganic and Medicinal Chemistry Letters 30(17) , 127403. 10.1016/j.bmcl.2020.127403. [PDB: 6x3l, 6x48]
  • Stirling, Alexander J.; Gilbert, Stephanie E.; Conner, Megan; Mallette, Evan; Kimber, Matthew S. et al. (2020). A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity. Biochemistry 59(42) , 4081-4092. 10.1021/acs.biochem.0c00568. [PDB: 6wy8, 6wy9]
  • Vance, Tyler D.R.; Ye, Qilu; Conroy, Brigid; Davies, Peter L. (2020). Essential role of calcium in extending RTX adhesins to their target. Journal of Structural Biology: X 4, 100036. 10.1016/j.yjsbx.2020.100036. [PDB: 6xi1, 6xi3]
  • Ye, Qilu; Eves, Robert; Campbell, Robert L.; Davies, Peter L. (2020). Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface. Biochemical Journal 477(17) . 10.1042/bcj20200539. [PDB: 6xnr]
  • Zhou, Qun; Jaworski, Julie; Zhou, Yanfeng; Valente, Delphine; Cotton, Joanne et al. (2020). Engineered Fc-glycosylation switch to eliminate antibody effector function. mAbs 12(1) , 1814583. 10.1080/19420862.2020.1814583. [PDB: 6x3i]

2019

  • Almawi, Ahmad W; Scotland, Michelle K; Randall, Justin R; Liu, Linda; Martin, Heather K et al. (2019). Binding of the regulatory domain of MutL to the sliding β-clamp is species specific. Nucleic Acids Research 47(9) . 10.1093/nar/gkz115. [PDB: 6e8d, 6e8e]
  • Arnal, Gregory; Stogios, Peter J.; Asohan, Jathavan; Attia, Mohamed A.; Skarina, Tatiana et al. (2019). Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. Journal of Biological Chemistry 294(36) , jbc.RA119.009861. 10.1074/jbc.ra119.009861. [PDB: 6p2l, 6p2o]
  • Bryan, Marian C.; Drobnick, Joy; Gobbi, Alberto; Kolesnikov, Aleksandr; Chen, Yongsheng et al. (2019). Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. Journal of Medicinal Chemistry 62(13) . 10.1021/acs.jmedchem.9b00439. [PDB: 6o9d]
  • Caveney, Nathanael A.; Caballero, Guillermo; Voedts, Henri; Niciforovic, Ana; Worrall, Liam J. et al. (2019). Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli. Nature Communications 10(1) . 10.1038/s41467-019-09507-0. [PDB: 6ntz]
  • Caveney, Nathanael A.; Pavlin, Anja; Caballero, Guillermo; Bahun, Miha; Hodnik, Vesna et al. (2019). Structural Insights into Bacteriophage GIL01 gp7 Inhibition of Host LexA Repressor. Structure 27(7) . 10.1016/j.str.2019.03.019. [PDB: 6n7o]
  • Chong, Pek Y.; Shotwell, J. Brad; Miller, John; Price, Daniel J.; Maynard, Andy et al. (2019). Design of N-Benzoxaborole Benzofuran GSK8175—Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. Journal of Medicinal Chemistry 62(7) , 3254-3267. 10.1021/acs.jmedchem.8b01719. [PDB: 6mvo]
  • Doyle, Liam; Ovchinnikova, Olga G.; Myler, Katharine; Mallette, Evan; Huang, Bo-Shun et al. (2019). Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules. Nature Chemical Biology 15(6) . 10.1038/s41589-019-0276-8. [PDB: 6mgb, 6mgc, 6mgd]
  • Duan, James J.-W.; Lu, Zhonghui; Jiang, Bin; Stachura, Sylwia; Weigelt, Carolyn A. et al. (2019). Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists. ACS Medicinal Chemistry Letters 10(3) , 367-373. 10.1021/acsmedchemlett.9b00010. [PDB: 6nx1]
  • Du, Yi-Ling; Higgins, Melanie A.; Zhao, Guiyun; Ryan, Katherine S. (2019). Convergent biosynthetic transformations to a bacterial specialized metabolite. Nature Chemical Biology 15(11) . 10.1038/s41589-019-0331-5. [PDB: 6p29]
  • Feng, Yuting; Park, Jaeok; Li, Shi-Guang; Boutin, Rebecca; Viereck, Peter et al. (2019). Chirality-Driven Mode of Binding of α-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). Journal of Medicinal Chemistry 62(21) , 9691-9702. 10.1021/acs.jmedchem.9b01104. [PDB: 6n7y, 6n82, 6n83, 6oag, 6oah]
  • Garside, E.L.; Whelan, T.A.; Stark, M.R.; Rader, S.D.; Fast, N.M. et al. (2019). Prp8 in a Reduced Spliceosome Lacks a Conserved Toggle that Correlates with Splicing Complexity across Diverse Taxa. Journal of Molecular Biology 431(14) . 10.1016/j.jmb.2019.04.047. [PDB: 6nqi]
  • Gassaway, Brandon M.; Cardone, Rebecca L.; Padyana, Anil K.; Petersen, Max C.; Judd, Evan T. et al. (2019). Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Reports 29(11) , 3394-3404.e9. 10.1016/j.celrep.2019.11.009. [PDB: 6ech]
  • Gobeil, Sophie M. C.; Ebert, Maximillian C. C. J. C.; Park, Jaeok; Gagné, Donald; Doucet, Nicolas et al. (2019). The Structural Dynamics of Engineered β-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function. Scientific Reports 9(1) . 10.1038/s41598-019-42866-8. [PDB: 4r4s]
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  • Hobbs, Joanne K.; Pluvinage, Benjamin; Robb, Melissa; Smith, Steven P.; Boraston, Alisdair B. et al. (2019). Two complementary α-fucosidases from Streptococcus pneumoniae promote complete degradation of host-derived carbohydrate antigens. Journal of Biological Chemistry 294(34) , jbc.RA119.009368. 10.1074/jbc.ra119.009368. [PDB: 6or4]
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  • Jones, Darryl R.; McLean, Richard; Hobbs, Joanne K.; Abbott, D. Wade (2019). A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase. Journal of Structural Biology 207(3) , 279-286. 10.1016/j.jsb.2019.06.003. [PDB: 6ojk, 6ojl]
  • Juvvadi, Praveen R.; Fox, David; Bobay, Benjamin G.; Hoy, Michael J.; Gobeil, Sophie M. C. et al. (2019). Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nature Communications 10(1) . 10.1038/s41467-019-12199-1. [PDB: 6tz7]
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  • Lei, Ming; Tempel, Wolfram; Chen, Sizhuo; Liu, Ke; Min, Jinrong et al. (2019). Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain. Biochimica et Biophysica Acta - Gene Regulatory Mechanisms 1862(9) , 194409. 10.1016/j.bbagrm.2019.194409.
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  • Li, Tang; Stephen, Preyesh; Zhu, Dao‐Wei; Shi, Rong; Lin, Sheng‐Xiang et al. (2019). Crystal structures of human 17β‐hydroxysteroid dehydrogenase type 1 complexed with estrone andNADP+reveal the mechanism of substrate inhibition. FEBS Journal 286(11) . 10.1111/febs.14784. [PDB: 6mne]
  • Liu, Yanli; Qin, Su; Chen, Tsai-Yu; Lei, Ming; Dhar, Shilpa S. et al. (2019). Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4. Nature Communications 10(1) . 10.1038/s41467-018-07906-3. [PDB: 6mlc]
  • Li, Zhijie; Tomlinson, Aidan CA; Wong, Alan HM; Zhou, Dongxia; Desforges, Marc et al. (2019). The human coronavirus HCoV-229E S-protein structure and receptor binding. eLife 8. 10.7554/elife.51230. [PDB: 6u7e, 6u7f]
  • Lu, Zhonghui; Duan, James J.-W.; Xiao, Haiyun; Neels, James; Wu, Dauh-Rurng et al. (2019). Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as RORγt inverse agonists. Bioorganic and Medicinal Chemistry Letters 29(16) . 10.1016/j.bmcl.2019.06.036. [PDB: 6p9f]
  • Mangat, Chand S.; Vadlamani, Grishma; Holicek, Viktor; Chu, Mitchell; Larmour, Veronica L. C. et al. (2019). Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam. Antimicrobial Agents and Chemotherapy 63(4) . 10.1128/aac.02112-18. [PDB: 6mk6]
  • McCallum, Matthew; Benlekbir, Samir; Nguyen, Sheryl; Tammam, Stephanie; Rubinstein, John L. et al. (2019). Multiple conformations facilitate PilT function in the type IV pilus. Nature Communications 10(1) . 10.1038/s41467-019-13070-z. [PDB: 6ojy, 6okv]
  • McDougall, Matthew; Francisco, Olga; Harder-Viddal, Candice; Roshko, Roy; Heide, Fabian et al. (2019). Proteinaceous Nano container Encapsulate Polycyclic Aromatic Hydrocarbons. Scientific Reports 9(1) . 10.1038/s41598-018-37323-x.
  • McLeod, Brandon; Miura, Kazutoyo; Scally, Stephen W.; Bosch, Alexandre; Nguyen, Ngan et al. (2019). Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25. Nature Communications 10(1) . 10.1038/s41467-019-11980-6. [PDB: 6phb, 6phc, 6phd, 6phf, 6phg, 6phh]
  • Mcleod, Matthew J.; Krismanich, Anthony P.; Assoud, Abdeljalil; Dmitrienko, Gary I.; Holyoak, Todd et al. (2019). Characterization of 3-[(Carboxymethyl)thio]picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinase. Biochemistry 58(37) , 3918-3926. 10.1021/acs.biochem.9b00583. [PDB: 6p5o]
  • Methot, Joey L.; Zhou, Hua; Kattar, Sam D.; McGowan, Meredeth A.; Wilson, Kevin et al. (2019). Structure Overhaul Affords a Potent Purine PI3Kδ Inhibitor with Improved Tolerability. Journal of Medicinal Chemistry 62(9) . 10.1021/acs.jmedchem.8b01818. [PDB: 6mul]
  • Newson, JoshuaP.M.; Scott, NichollasE.; Yeuk Wah Chung, Ivy; Wong Fok Lung, Tania; Giogha, Cristina et al. (2019). Salmonella Effectors SseK1 and SseK3 Target Death Domain Proteins in the TNF and TRAIL Signaling Pathways*. Molecular and Cellular Proteomics 18(6) , 1138-1156. 10.1074/mcp.ra118.001093. [PDB: 6cgi, 6dus]
  • Nguyen, Vinh H.; Singh, Noreen; Medina, Ana; Usón, Isabel; Fraser, Marie E. et al. (2019). Identification of the active site residues in ATP‐citrate lyase's carboxy‐terminal portion. Protein Science 28(10) , 1840-1849. 10.1002/pro.3708. [PDB: 6nzy]
  • Pluvinage, Benjamin; Massel, Patricia M; Burak, Kristyn; Boraston, Alisdair B (2019). Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology 30(1) , 49-57. 10.1093/glycob/cwz069. [PDB: 6pv4]
  • Radka, Christopher D.; Labiuk, Shaunivan L.; DeLucas, Lawrence J.; Aller, Stephen G. (2019). Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms. Acta Crystallographica Section D: Structural Biology 75(9) . 10.1107/s2059798319010866. [PDB: 6q1d]
  • Rahfeld, Peter; Sim, Lyann; Moon, Haisle; Constantinescu, Iren; Morgan-Lang, Connor et al. (2019). An enzymatic pathway in the human gut microbiome that converts A to universal O type blood. Nature Microbiology 4(9) . 10.1038/s41564-019-0469-7. [PDB: 6n1a]
  • Raman, Swetha; Beilschmidt, Melissa; To, Minh; Lin, Kevin; Lui, Francine et al. (2019). Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proceedings of the National Academy of Sciences of the United States of America 116(14) , 6812-6817. 10.1073/pnas.1817246116. [PDB: 6o39, 6o3a]
  • Reimer, Janice M.; Eivaskhani, Maximilian; Harb, Ingrid; Guarné, Alba; Weigt, Martin et al. (2019). Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science 366(6466) , eaaw4388. 10.1126/science.aaw4388. [PDB: 6mfw, 6mfx, 6mfy, 6mfz]
  • Rescourio, Gwenaella; Gonzalez, Ana Z.; Jabri, Salman; Belmontes, Brian; Moody, Gordon et al. (2019). Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an α-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. Journal of Medicinal Chemistry 62(22) , 10258-10271. 10.1021/acs.jmedchem.9b01310. [PDB: 6ud2, 6udi]
  • Rice, Kyle; Batul, Kissa; Whiteside, Jacqueline; Kelso, Jayne; Papinski, Monica et al. (2019). The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis. Nature Communications 10(1) . 10.1038/s41467-019-11627-6.
  • Riggs, Jennifer R.; Elsner, Jan; Cashion, Dan; Robinson, Dale; Tehrani, Lida et al. (2019). Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. Journal of Medicinal Chemistry 62(9) , 4401-4410. 10.1021/acs.jmedchem.8b01869. [PDB: 6n6o]
  • Ryan, Patrick; Forrester, Taylor J.B.; Wroblewski, Charles; Kenney, Tristan M.G.; Kitova, Elena N. et al. (2019). The small RbcS-like domains of the β-carboxysome structural protein CcmM bind RubisCO at a site distinct from that binding the RbcS subunit. Journal of Biological Chemistry 294(8) , 2593-2603. 10.1074/jbc.ra118.006330. [PDB: 6mr1]
  • Sahtout, Naheda; Kuttiyatveetil, Jijin R.A.; Sanders, David A.R. (2019). Structure and function of the putative thioredoxin 1 from the thermophilic eubacterium Thermosipho africanus strain TCF52B. Biochimica et Biophysica Acta - Proteins and Proteomics 1867(4) , 426-433. 10.1016/j.bbapap.2019.01.011. [PDB: 6mos]
  • Schrag, Joseph D.; Picard, Marie-Ève; Gaudreault, Francis; Gagnon, Louis-Patrick; Baardsnes, Jason et al. (2019). Binding symmetry and surface flexibility mediate antibody self-association. mAbs 11(7) , 1-19. 10.1080/19420862.2019.1632114. [PDB: 6mxr, 6mxs, 6my4, 6my5]
  • Sengupta, Shomit; Giaime, Emilie; Narayan, Sridhar; Hahm, Seung; Howell, Jessica et al. (2019). Discovery of NV-5138, the first selective Brain mTORC1 activator. Scientific Reports 9(1) , 4107. 10.1038/s41598-019-40693-5. [PDB: 6n0m]
  • Simonetta, Kyle R.; Taygerly, Joshua; Boyle, Kathleen; Basham, Stephen E.; Padovani, Chris et al. (2019). Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nature Communications 10(1) , 1402. 10.1038/s41467-019-09358-9. [PDB: 6m91, 6m92, 6m93, 6m94]
  • Smith, Bryan D.; Kaufman, Michael D.; Lu, Wei-Ping; Gupta, Anu; Leary, Cynthia B. et al. (2019). Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants. Cancer Cell 35(5) , 738-751.e9. 10.1016/j.ccell.2019.04.006. [PDB: 6mob]
  • Spergel, Steven H.; Mertzman, Michael E.; Kempson, James; Guo, Junqing; Stachura, Sylwia et al. (2019). Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis. ACS Medicinal Chemistry Letters 10(3) , 306-311. 10.1021/acsmedchemlett.8b00508. [PDB: 6ny4]
  • Tang, Aimin; Chen, Zhifeng; Cox, Kara S.; Su, Hua-Poo; Callahan, Cheryl et al. (2019). A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein. Nature Communications 10(1) . 10.1038/s41467-019-12137-1. [PDB: 6ous]
  • Tarry, Michael J.; Harmel, Christoph; Taylor, James A.; Marczynski, Gregory T.; Schmeing, T. Martin et al. (2019). Structures of GapR reveal a central channel which could accommodate B-DNA. Scientific Reports 9(1) . 10.1038/s41598-019-52964-2. [PDB: 6ozx, 6ozy, 6ozz]
  • Vance, Tyler D. R.; Guo, Shuaiqi; Assaie-Ardakany, Shayan; Conroy, Brigid; Davies, Peter L. et al. (2019). Structure and functional analysis of a bacterial adhesin sugar-binding domain. PLoS ONE 14(7) , e0220045. 10.1371/journal.pone.0220045. [PDB: 6m8m]
  • Velagapudi, Uday Kiran; Langelier, Marie-France; Delgado-Martin, Cristina; Diolaiti, Morgan E.; Bakker, Sietske et al. (2019). Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. Journal of Medicinal Chemistry 62(11) , 5330-5357. 10.1021/acs.jmedchem.8b01709. [PDB: 6nrf, 6nrg, 6nrh, 6nri, 6nrj]
  • Von Dwingelo, Juanita; Chung, Ivy Yeuk Wah; Price, Christopher T.; Li, Lei; Jones, Snake et al. (2019). Interaction of the Ankyrin H Core Effector of Legionella with the Host LARP7 Component of the 7SK snRNP Complex. mBio 10(4) , e01942-19. 10.1128/mbio.01942-19. [PDB: 6mca]
  • Wei, Yong; Resetca, Diana; Li, Zhe; Johansson-Åkhe, Isak; Ahlner, Alexandra et al. (2019). Multiple direct interactions of TBP with the MYC oncoprotein. Nature Structural and Molecular Biology 26(11) , 1035-1043. 10.1038/s41594-019-0321-z. [PDB: 6e24]
  • Wei, Yong; Xiong, Zi Jian; Li, Jun; Zou, Chunxia; Cairo, Christopher W. et al. (2019). Crystal structures of human lysosomal EPDR1 reveal homology with the superfamily of bacterial lipoprotein transporters. Communications Biology 2(1) . 10.1038/s42003-018-0262-9. [PDB: 6e7o]
  • White, Brandy; Huh, Ian; Brooks, Cory L. (2019). Structure of a VHH isolated from a naïve phage display library. BMC Research Notes 12(1) . 10.1186/s13104-019-4197-0. [PDB: 6dyx]
  • Whitesell, Luke; Robbins, Nicole; Huang, David S.; McLellan, Catherine A.; Shekhar-Guturja, Tanvi et al. (2019). Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nature Communications 10(1) , 402. 10.1038/s41467-018-08248-w. [PDB: 6cjl, 6cjp]
  • Wrobleski, Stephen T.; Moslin, Ryan; Lin, Shuqun; Zhang, Yanlei; Spergel, Steven et al. (2019). Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. Journal of Medicinal Chemistry 62(20) . 10.1021/acs.jmedchem.9b00444. [PDB: 6nzq, 6nzr]
  • Zhang, Birong; Kiefer, James R.; Blake, Robert A.; Chang, Jae H.; Hartman, Steven et al. (2019). Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorganic and Medicinal Chemistry Letters 29(7) . 10.1016/j.bmcl.2019.01.036. [PDB: 6dfn]

2018

  • Aamudalapalli, Hari Babu; Bertwistle, Drew; Palmer, David R.J.; Sanders, David A.R. (2018). myo-Inositol dehydrogenase and scyllo-inositol dehydrogenase from Lactobacillus casei BL23 bind their substrates in very different orientations. Biochimica et Biophysica Acta - Proteins and Proteomics 1866(11) , 1115-1124. 10.1016/j.bbapap.2018.08.011.
  • Alexander, J. Andrew N.; Chatterjee, Som S.; Hamilton, Stephanie M.; Eltis, Lindsay D.; Chambers, Henry F. et al. (2018). Structural and kinetic analyses of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance in Staphylococcus aureus. Journal of Biological Chemistry 293(51) , 19854-19865. 10.1074/jbc.ra118.004952. [PDB: 5tw4, 5tw8, 5tx9, 5txi, 5ty2, 5ty7, 6c39, 6c3k]
  • Arnal, Gregory; Stogios, Peter J.; Asohan, Jathavan; Skarina, Tatiana; Savchenko, Alexei et al. (2018). Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74 endo-xyloglucanase. Biochemical Journal 475(24) , 3963-3978. 10.1042/bcj20180763. [PDB: 6mgl]
  • Bagal, Sharan K.; Andrews, Mark; Bechle, Bruce M.; Bian, Jianwei; Bilsland, James et al. (2018). Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. Journal of Medicinal Chemistry 61(15) , 6779-6800. 10.1021/acs.jmedchem.8b00633. [PDB: 6dkb]
  • Bagal, Sharan K.; Omoto, Kiyoyuki; Blakemore, David C.; Bungay, Peter J.; Bilsland, James G. et al. (2018). Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors. Journal of Medicinal Chemistry 62(1) , 247-265. 10.1021/acs.jmedchem.8b00280. [PDB: 6d20]
  • Beyrakhova, Ksenia; Li, Lei; Xu, Caishuang; Gagarinova, Alla; Cygler, Miroslaw et al. (2018). Legionella pneumophila effector Lem4 is a membrane-associated protein tyrosine phosphatase. Journal of Biological Chemistry 293(34) , 13044-13058. 10.1074/jbc.ra118.003845. [PDB: 6cdw, 6cgj]
  • Blackler, Ryan J.; López-Guzmán, Arturo; Hager, Fiona F.; Janesch, Bettina; Martinz, Gudrun et al. (2018). Structural basis of cell wall anchoring by SLH domains in Paenibacillus alvei. Nature Communications 9(1) . 10.1038/s41467-018-05471-3. [PDB: 6cwc, 6cwh, 6cwi, 6cwl, 6cwm, 6cwn, 6cwr]
  • Blank, Matthew L.; Parker, Michelle L.; Ramaswamy, Raghavendran; Powell, Cameron J.; English, Elizabeth D. et al. (2018). A Toxoplasma gondii locus required for the direct manipulation of host mitochondria has maintained multiple ancestral functions. Molecular Microbiology 108(5) , 519-535. 10.1111/mmi.13947. [PDB: 6bxr, 6bxs]
  • Bonday, Zahid Q.; Cortez, Guillermo S.; Grogan, Michael J.; Antonysamy, Stephen; Weichert, Ken et al. (2018). LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity. ACS Medicinal Chemistry Letters 9(7) , 612-617. 10.1021/acsmedchemlett.8b00014. [PDB: 6ckc]
  • Caldwell, Shane J.; Berghuis, Albert M. (2018). Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2″)-Ia. Antimicrobial Agents and Chemotherapy 62(7) , e00202-18. 10.1128/aac.00202-18. [PDB: 6c5u, 6cav, 6cey, 6cgd, 6cgg, 6ch4]
  • Chen, Yun; Murillo-Solano, Claribel; Kirkpatrick, Melanie G.; Antoshchenko, Tetyana; Park, Hee-Won et al. (2018). Repurposing drugs to target the malaria parasite unfolding protein response. Scientific Reports 8(1) . 10.1038/s41598-018-28608-2. [PDB: 5umb]
  • Chen, Yu Seby; Kozlov, Guennadi; Fakih, Rayan; Funato, Yosuke; Miki, Hiroaki et al. (2018). The cyclic nucleotide–binding homology domain of the integral membrane protein CNNM mediates dimerization and is required for Mg2+ efflux activity. Journal of Biological Chemistry 293(52) , 19998-20007. 10.1074/jbc.ra118.005672. [PDB: 6dj3]
  • Dementiev, Alexey; Silva, Abel; Yee, Calvin; Li, Zhe; Flavin, Michael T. et al. (2018). Structures of human plasma β–factor XIIa cocrystallized with potent inhibitors. Blood advances 2(5) , 549-558. 10.1182/bloodadvances.2018016337. [PDB: 6b74]
  • Dong, Cheng; Dong, Guangping; Li, Li; Zhu, Licheng; Tempel, Wolfram et al. (2018). An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2. Communications Biology 1(1) . 10.1038/s42003-018-0196-2. [PDB: 6dub]
  • Dong, Cheng; Zhang, Heng; Li, Li; Tempel, Wolfram; Loppnau, Peter et al. (2018). Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway. Nature Chemical Biology 14(5) , 466-473. 10.1038/s41589-018-0036-1. [PDB: 6cdc]
  • Ereño-Orbea, June; Sicard, Taylor; Cui, Hong; Carson, Jacob; Hermans, Pim et al. (2018). Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments. Journal of Molecular Biology 430(3) , 322-336. 10.1016/j.jmb.2017.12.010. [PDB: 6ana, 6and, 6ani]
  • Gebai, Ahmad; Gorelik, Alexei; Li, Zixian; Illes, Katalin; Nagar, Bhushan et al. (2018). Structural basis for the activation of acid ceramidase. Nature Communications 9(1) . 10.1038/s41467-018-03844-2. [PDB: 5u7z, 5u81, 5u84]
  • Gebai, Ahmad; Gorelik, Alexei; Nagar, Bhushan (2018). Crystal structure of saposin D in an open conformation. Journal of Structural Biology 204(2) , 145-150. 10.1016/j.jsb.2018.07.011. [PDB: 5u85]
  • Gong, Hua; Weinstein, David S.; Lu, Zhonghui; Duan, James J.-W.; Stachura, Sylwia et al. (2018). Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (RORγ/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorganic and Medicinal Chemistry Letters 28(2) , 85-93. 10.1016/j.bmcl.2017.12.006. [PDB: 6bns]
  • González, Javier M.; Marti-Arbona, Ricardo; Chen, Julian C.-H.; Broom-Peltz, Brian; Unkefer, Clifford J. et al. (2018). Conformational changes on substrate binding revealed by structures of Methylobacterium extorquens malate dehydrogenase. Acta Crystallographica Section F:Structural Biology Communications 74(10) , 610-616. 10.1107/s2053230x18011809. [PDB: 5ujk]
  • Gorelik, Alexei; Gebai, Ahmad; Illes, Katalin; Piomelli, Daniele; Nagar, Bhushan et al. (2018). Molecular mechanism of activation of the immunoregulatory amidase NAAA. Proceedings of the National Academy of Sciences of the United States of America 115(43) , E10032-E10040. 10.1073/pnas.1811759115. [PDB: 6dxw, 6dxx, 6dxy, 6dxz, 6dy0, 6dy1, 6dy2, 6dy3]
  • Gorelik, Alexei; Illes, Katalin; Nagar, Bhushan (2018). Crystal structure of the mammalian lipopolysaccharide detoxifier. Proceedings of the National Academy of Sciences of the United States of America 115(5) , E896-E905. 10.1073/pnas.1719834115. [PDB: 5w78, 5w7a, 5w7b, 5w7c, 5w7d, 5w7e, 5w7f]
  • Gorelik, Alexei; Randriamihaja, Antsa; Illes, Katalin; Nagar, Bhushan (2018). Structural basis for nucleotide recognition by the ectoenzyme CD 203c. FEBS Journal 285(13) . 10.1111/febs.14489. [PDB: 6c01, 6c02]
  • Guo, Shuaiqi; Langelaan, David N.; Phippen, Sean W.; Smith, Steven P.; Voets, Ilja K. et al. (2018). Conserved structural features anchor biofilm‐associated RTX –adhesins to the outer membrane of bacteria. FEBS Journal 285(10) , 1812-1826. 10.1111/febs.14441.
  • Haji-Ghassemi, Omid; Müller-Loennies, Sven; Brooks, Cory L.; MacKenzie, C. Roger; Caveney, Nathanael et al. (2018). Subtle Changes in the Combining Site of the Chlamydiaceae-Specific mAb S25-23 Increase the Antibody–Carbohydrate Binding Affinity by an Order of Magnitude. Biochemistry 58(6) , 714-726. 10.1021/acs.biochem.8b00318. [PDB: 6c5h, 6c5i, 6c5j, 6c5k]
  • Hamaguchi, Hisao; Amano, Yasushi; Moritomo, Ayako; Shirakami, Shohei; Nakajima, Yutaka et al. (2018). Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor. Bioorganic and Medicinal Chemistry 26(18) , 4971-4983. 10.1016/j.bmc.2018.08.005. [PDB: 6aak]
  • Hedges, Jason B.; Kuatsjah, Eugene; Du, Yi-Ling; Eltis, Lindsay D.; Ryan, Katherine S. et al. (2018). Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase. ACS Chemical Biology 13(4) , 965-974. 10.1021/acschembio.8b00039. [PDB: 6c3a, 6c3b, 6c3c, 6c3d]
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  • Marshall, Jeremy D.S.; Mellor, Paul; Ruan, Xuan; Whitecross, Dielle E.; Moore, Stanley A. et al. (2018). Insight into the PTEN - p85α interaction and lipid binding properties of the p85α BH domain. Oncotarget 9(97) , 36975-36992. 10.18632/oncotarget.26432. [PDB: 6mrp]
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  • Mellor, Paul; Marshall, Jeremy D. S.; Ruan, Xuan; Whitecross, Dielle E.; Ross, Rebecca L. et al. (2018). Patient-derived mutations within the N-terminal domains of p85α impact PTEN or Rab5 binding and regulation. Scientific Reports 8(1) . 10.1038/s41598-018-25487-5. [PDB: 6d81, 6d82, 6d85, 6d86, 6d87]
  • Ozer, Hatice Gulcin; El-Gamal, Dalia; Powell, Ben; Hing, Zachary A.; Blachly, James S. et al. (2018). BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discovery 8(4) , 458-477. 10.1158/2159-8290.cd-17-0902. [PDB: 5wma]
  • Picard, Marie-Ève; Nisole, Audrey; Béliveau, Catherine; Sen, Stephanie; Barbar, Aline et al. (2018). Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana : Implications for inhibitor design. Insect Biochemistry and Molecular Biology 92, 84-92. 10.1016/j.ibmb.2017.11.011. [PDB: 6b02, 6b04, 6b06]
  • Pluvinage, Benjamin; Grondin, Julie M.; Amundsen, Carolyn; Klassen, Leeann; Moote, Paul E. et al. (2018). Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nature Communications 9(1) . 10.1038/s41467-018-03366-x. [PDB: 5t9a, 5t9x, 5ta0, 5ta1, 5ta5, 5ta7, 5ta9]
  • Qiu, Luping; Levine, Kymberly; Gajiwala, Ketan S.; Cronin, Ciarán N.; Nagata, Asako et al. (2018). Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE 13(6) , e0198374. 10.1371/journal.pone.0198374. [PDB: 6cz2, 6cz3]
  • Reimer, Janice M.; Harb, Ingrid; Ovchinnikova, Olga G.; Jiang, Jessie; Whitfield, Chris et al. (2018). Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain. ACS Chemical Biology 13(11) , 3161-3172. 10.1021/acschembio.8b00739. [PDB: 6ci2, 6ci5]
  • Sauvé, Véronique; Sung, George; Soya, Naoto; Kozlov, Guennadi; Blaimschein, Nina et al. (2018). Mechanism of parkin activation by phosphorylation. Nature Structural and Molecular Biology 25(7) , 623-630. 10.1038/s41594-018-0088-7. [PDB: 6djw, 6djx]
  • Smith, Peter A.; Koehler, Michael F. T.; Girgis, Hany S.; Yan, Donghong; Chen, Yongsheng et al. (2018). Optimized arylomycins are a new class of Gram-negative antibiotics. Nature 561(7722) , 189-194. 10.1038/s41586-018-0483-6. [PDB: 6b88]
  • Stöppler, Daniel; Macpherson, Alex; Smith-Penzel, Susanne; Basse, Nicolas; Lecomte, Fabien et al. (2018). Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biology 16(5) , e2006192. 10.1371/journal.pbio.2006192. [PDB: 6c97, 6c98]
  • Tanaka, Hiroshi; Sase, Hitoshi; Tsukaguchi, Toshiyuki; Hasegawa, Masami; Tanimura, Hiromi et al. (2018). Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Molecular Cancer Therapeutics 17(12) , 2519-2529. 10.1158/1535-7163.mct-17-1180. [PDB: 5wr7]
  • Tarade, Daniel; Robinson, Claire M.; Lee, Jeffrey E.; Ohh, Michael (2018). HIF-2α-pVHL complex reveals broad genotype-phenotype correlations in HIF-2α-driven disease. Nature Communications 9(1) . 10.1038/s41467-018-05554-1. [PDB: 6bvb]
  • Trofimova, Daria; Paydar, Mohammadjavad; Zara, Anthony; Talje, Lama; Kwok, Benjamin H. et al. (2018). Ternary complex of Kif2A-bound tandem tubulin heterodimers represents a kinesin-13-mediated microtubule depolymerization reaction intermediate. Nature Communications 9(1) . 10.1038/s41467-018-05025-7. [PDB: 6bbn]
  • Ulaganathan, ThirumalaiSelvi; Banin, Ehud; Helbert, William; Cygler, Miroslaw (2018). Structural and functional characterization of PL28 family ulvan lyase NLR48 from Nonlabens ulvanivorans. Journal of Biological Chemistry 293(29) , 11564-11573. 10.1074/jbc.ra118.003659. [PDB: 6d2c, 6d3u]
  • Ulaganathan, ThirumalaiSelvi; Helbert, William; Kopel, Moran; Banin, Ehud; Cygler, Miroslaw et al. (2018). Structure–function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism. Journal of Biological Chemistry 293(11) , 4026-4036. 10.1074/jbc.ra117.001642. [PDB: 6byp, 6byt, 6byx]
  • Voth, Kevin A.; Chung, Ivy Yeuk Wah; Straaten, Karin; Li, Lei; Boniecki, Michal T. et al. (2018). The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe ( OCRL ) protein. FEBS Journal 286(4) , 710-725. 10.1111/febs.14710. [PDB: 6deh]
  • Wagner, Florence F.; Benajiba, Lina; Campbell, Arthur J.; Weïwer, Michel; Sacher, Joshua R. et al. (2018). Exploiting an Asp-Glu “switch” in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Science Translational Medicine 10(431) , eaam8460. 10.1126/scitranslmed.aam8460. [PDB: 5kpl, 5kpm]
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2017

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  • Cook, Jonathan D.; Sultana, Azmiri; Lee, Jeffrey E. (2017). Structure of the infectious salmon anemia virus receptor complex illustrates a unique binding strategy for attachment. Proceedings of the National Academy of Sciences of the United States of America 114(14) , E2929-E2936. 10.1073/pnas.1617993114. [PDB: 5t96, 5t9y]
  • Copp, William; Denisov, Alexey Y.; Xie, Jingwei; Noronha, Anne M.; Liczner, Christopher et al. (2017). Influence of nucleotide modifications at the C2’ position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA. Nucleic Acids Research 45(17) , 10321-10331. 10.1093/nar/gkx713. [PDB: 5vxq]
  • Crawford, Terry D.; Audia, James E.; Bellon, Steve; Burdick, Daniel J.; Bommi-Reddy, Archana et al. (2017). GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Medicinal Chemistry Letters 8(7) , 737-741. 10.1021/acsmedchemlett.7b00132. [PDB: 5v84]
  • Curtin, Michael L.; Pliushchev, Marina A.; Li, Huan-Qiu; Torrent, Maricel; Dietrich, Justin D. et al. (2017). SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorganic and Medicinal Chemistry Letters 27(7) , 1576-1583. 10.1016/j.bmcl.2017.02.030. [PDB: 5u69, 5u6d]
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  • Guo, Shuaiqi; Stevens, Corey A.; Vance, Tyler D. R.; Olijve, Luuk L. C.; Graham, Laurie A. et al. (2017). Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Science advances 3(8) , e1701440. 10.1126/sciadv.1701440. [PDB: 5j6y, 5juh, 5k8g]
  • Haft, Daniel H.; Pierce, Phillip G.; Mayclin, Stephen J.; Sullivan, Amy; Gardberg, Anna S. et al. (2017). Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors. Scientific Reports 7(1) . 10.1038/srep41074. [PDB: 3t7c]
  • Huang, Xin; Chen, Hao; Shaffer, Paul L. (2017). Crystal Structures of Human GlyRα3 Bound to Ivermectin. Structure 25(6) , 945-950. 10.1016/j.str.2017.04.007. [PDB: 5vdi]
  • Hu, Jinhong; Komakula, Aruna; Fraser, Marie E. (2017). Binding of hydroxycitrate to human ATP-citrate lyase. Acta Crystallographica Section D: Structural Biology 73(8) , 660-671. 10.1107/s2059798317009871. [PDB: 5tde, 5tdf, 5tdm, 5tdz, 5te1, 5teq, 5tes, 5tet]
  • Hynes, John; Wu, Hong; Kempson, James; Duan, James J.-W.; Lu, Zhonghui et al. (2017). Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Bioorganic and Medicinal Chemistry Letters 27(14) , 3101-3106. 10.1016/j.bmcl.2017.05.043. [PDB: 5vo6]
  • Jha, Vikash; Ling, Hong (2017). Structural basis of accurate replication beyond a bulky major benzo[a]pyrene adduct by human DNA polymerase kappa. DNA Repair 49, 43-50. 10.1016/j.dnarep.2016.11.001. [PDB: 5t14]
  • Kgosisejo, Oarabile; Chen, Jian An; Grochulski, Pawel; Tanaka, Takuji (2017). Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships. Biochimica et Biophysica Acta - Proteins and Proteomics 1865(5) , 473-480. 10.1016/j.bbapap.2017.02.004. [PDB: 4zng, 6xmr, 7k3u, 7n02]
  • Khalili Yazdi, Aliakbar; Namjoshi, Sarita; Hackett, Jesse; Ghonaim, Nour; Shilton, Brian H. et al. (2017). Characterization of a polypeptide-binding site in the DEAD Motor of the SecA ATPase. FEBS Letters 591(20) , 3378-3390. 10.1002/1873-3468.12832. [PDB: 5k94]
  • King, Dustin T.; Wasney, Gregory A.; Nosella, Michael; Fong, Anita; Strynadka, Natalie C.J. et al. (2017). Structural Insights into Inhibition of Escherichia coli Penicillin-binding Protein 1B. Journal of Biological Chemistry 292(3) , 979-993. 10.1074/jbc.m116.718403. [PDB: 5hl9, 5hla, 5hlb, 5hld]
  • Kozlov, Guennadi; Wong, Kathy; Gehring, Kalle (2017). Crystal structure of the Legionella effector Lem22. Proteins: Structure. Function and Bioinformatics 86(2) , 263-267. 10.1002/prot.25427. [PDB: 5wd8]
  • Lizak, Christian; Worrall, Liam J.; Baumann, Lars; Pfleiderer, Moritz M.; Volkers, Gesa et al. (2017). X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid. Scientific Reports 7(1) . 10.1038/s41598-017-05627-z. [PDB: 5wc6, 5wcn, 5wd7]
  • Li, Zhijie; Fischer, Michael; Satkunarajah, Malathy; Zhou, Dongxia; Withers, Stephen G. et al. (2017). Structural basis of Notch O-glucosylation and O–xylosylation by mammalian protein–O-glucosyltransferase 1 (POGLUT1). Nature Communications 8(1) . 10.1038/s41467-017-00255-7. [PDB: 5l0r, 5l0s, 5l0t]
  • Li, Zhijie; Han, Kristina; Pak, John E; Satkunarajah, Malathy; Zhou, Dongxia et al. (2017). Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1. Nature Chemical Biology 13(7) . 10.1038/nchembio.2381. [PDB: 5kxh, 5kxq, 5ky0, 5ky2, 5ky3, 5ky4, 5ky5, 5ky7, 5ky8, 5ky9]
  • Machuqueiro, Miguel; Victor, Bruno; Switala, Jacek; Villanueva, Jacylyn; Rovira, Carme et al. (2017). The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry 56(17) , 2271-2281. 10.1021/acs.biochem.6b01276. [PDB: 5kq0, 5kq2, 5kq3, 5kq6, 5kqh, 5kqi, 5kqk, 5ksf, 5ksk, 5syu, 5syv, 5syw, 5txq, 5v4o, 5v53]
  • Mallette, Evan; Kimber, Matthew S. (2017). A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport. Journal of Biological Chemistry 292(4) , 1197-1210. 10.1074/jbc.m116.754093. [PDB: 5l37, 5l38, 5l39, 5suh]
  • McCallum, Matthew; Tammam, Stephanie; Khan, Ahmad; Burrows, Lori L.; Howell, P. Lynne et al. (2017). The molecular mechanism of the type IVa pilus motors. Nature Communications 8(1) . 10.1038/ncomms15091. [PDB: 5tsg, 5tsh]
  • McGregor, Nicholas; Yin, Victor; Tung, Ching‐Chieh; Van Petegem, Filip; Brumer, Harry et al. (2017). Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases. Plant Journal 89(4) , 651-670. 10.1111/tpj.13421. [PDB: 5dze, 5dzf, 5sv8]
  • McPhail, Jacob A.; Ottosen, Erik H.; Jenkins, Meredith L.; Burke, John E. (2017). The Molecular Basis of Aichi Virus 3A Protein Activation of Phosphatidylinositol 4 Kinase IIIβ, PI4KB, through ACBD3. Structure 25(1) , 121-131. 10.1016/j.str.2016.11.016. [PDB: 5tdq]
  • Moen, Spencer O.; Edwards, Thomas E.; Dranow, David M.; Clifton, Matthew C.; Sankaran, Banumathi et al. (2017). Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms. Scientific Reports 7(1) . 10.1038/s41598-017-00367-6. [PDB: 3tze]
  • Noach, Ilit; Ficko-Blean, Elizabeth; Pluvinage, Benjamin; Stuart, Christopher; Jenkins, Meredith L. et al. (2017). Recognition of protein-linked glycans as a determinant of peptidase activity. Proceedings of the National Academy of Sciences of the United States of America 114(5) , E679-E688. 10.1073/pnas.1615141114. [PDB: 5kd5, 5kd8, 5kdn, 5kdu, 5kdv, 5kdw, 5kdx]
  • Noguchi, Masato; Nomura, Akihiro; Murase, Ken; Doi, Satoki; Yamaguchi, Keishi et al. (2017). Ternary complex of human RORγ ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment. Genes to Cells 22(6) , 535-551. 10.1111/gtc.12494. [PDB: 5x8q]
  • Park, Jaeok; Leung, Chun Yuen; Matralis, Alexios N.; Lacbay, Cyrus M.; Tsakos, Michail et al. (2017). Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. Journal of Medicinal Chemistry 60(5) , 2119-2134. 10.1021/acs.jmedchem.6b01888. [PDB: 5juz, 5jv1]
  • Park, Jaeok; Rodionov, Dmitry; De Schutter, Joris W.; Lin, Yih-Shyan; Tsantrizos, Youla S. et al. (2017). Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase. PLoS ONE 12(10) , e0186447. 10.1371/journal.pone.0186447. [PDB: 4nfi, 4nfj, 4nfk]
  • Park, Jaeok; Zielinski, Michal; Magder, Alexandr; Tsantrizos, Youla S.; Berghuis, Albert M. et al. (2017). Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product. Nature Communications 8(1) . 10.1038/ncomms14132. [PDB: 5ja0]
  • Planken, Simon; Behenna, Douglas C.; Nair, Sajiv K.; Johnson, Theodore O.; Nagata, Asako et al. (2017). Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. Journal of Medicinal Chemistry 60(7) , 3002-3019. 10.1021/acs.jmedchem.6b01894. [PDB: 5ugc]
  • Pluvinage, Benjamin; Fillo, Alexander; Massel, Patricia; Boraston, Alisdair B. (2017). Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of β-1,3-Glucan Quaternary Structure. Structure 25(9) , 1348-1359.e3. 10.1016/j.str.2017.06.019. [PDB: 5t4a, 5t4c, 5t4g]
  • Radka, Christopher D.; DeLucas, Lawrence J.; Wilson, Landon S.; Lawrenz, Matthew B.; Perry, Robert D. et al. (2017). Crystal structure ofYersinia pestisvirulence factor YfeA reveals two polyspecific metal-binding sites. Acta Crystallographica Section D: Structural Biology 73(7) , 557-572. 10.1107/s2059798317006349. [PDB: 5uy0, 5uy4, 5uy5, 5uya, 5uyb, 5uyc, 5uyd, 5uye, 5uyf]
  • Rai, Ganesha; Brimacombe, Kyle R.; Mott, Bryan T.; Urban, Daniel J.; Hu, Xin et al. (2017). Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). Journal of Medicinal Chemistry 60(22) , 9184-9204. 10.1021/acs.jmedchem.7b00941. [PDB: 5w8h, 5w8j]
  • Riggs, Jennifer R.; Nagy, Mark; Elsner, Jan; Erdman, Paul; Cashion, Dan et al. (2017). The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen. Journal of Medicinal Chemistry 60(21) , 8989-9002. 10.1021/acs.jmedchem.7b01223. [PDB: 6b4w]
  • Sakurada, Isao; Endo, Toshiya; Hikita, Katsuyoshi; Hirabayashi, Tomokazu; Hosaka, Yoshitaka et al. (2017). Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorganic and Medicinal Chemistry Letters 27(11) , 2622-2628. 10.1016/j.bmcl.2017.03.002. [PDB: 5tnt]
  • Scally, Stephen W.; McLeod, Brandon; Bosch, Alexandre; Miura, Kazutoyo; Liang, Qi et al. (2017). Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nature Communications 8(1) . 10.1038/s41467-017-01924-3. [PDB: 6azz, 6b08, 6b0a, 6b0e, 6b0g, 6b0h]
  • Scally, Stephen W.; Murugan, Rajagopal; Bosch, Alexandre; Triller, Gianna; Costa, Giulia et al. (2017). Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection. Journal of Experimental Medicine 215(1) , 63-75. 10.1084/jem.20170869. [PDB: 6b0s, 6b0w]
  • Siu, Tony; Brubaker, Jason; Fuller, Peter; Torres, Luis; Zeng, Hongbo et al. (2017). The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties. Journal of Medicinal Chemistry 60(23) , 9676-9690. 10.1021/acs.jmedchem.7b01135. [PDB: 5wo4]
  • Stanger, Frédéric V.; de Beer, Tjaart A.P.; Dranow, David M.; Schirmer, Tilman; Phan, Isabelle et al. (2017). The BID Domain of Type IV Secretion Substrates Forms a Conserved Four-Helix Bundle Topped with a Hook. Structure 25(1) , 203-211. 10.1016/j.str.2016.10.010. [PDB: 4yk1]
  • Sun, Luxin; Huang, Yuhao; Edwards, Ross A.; Yang, Sukmin; Blackford, Andrew N. et al. (2017). Structural Insight into BLM Recognition by TopBP1. Structure 25(10) , 1582-1588.e3. 10.1016/j.str.2017.08.005. [PDB: 5u6k]
  • Tarry, Michael J.; Haque, Asfarul S.; Bui, Khanh Huy; Schmeing, T. Martin (2017). X-Ray Crystallography and Electron Microscopy of Cross- and Multi-Module Nonribosomal Peptide Synthetase Proteins Reveal a Flexible Architecture. Structure 25(5) , 783-793.e4. 10.1016/j.str.2017.03.014. [PDB: 5u89]
  • Triller, Gianna; Scally, Stephen W.; Costa, Giulia; Pissarev, Maria; Kreschel, Cornelia et al. (2017). Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity 47(6) , 1197-1209.e10. 10.1016/j.immuni.2017.11.007. [PDB: 5bk0, 5bk3, 5bk5, 6azm, 6azx]
  • Wahba, Haytham M.; Stevenson, Michael J.; Mansour, Ahmed; Sygusch, Jurgen; Wilcox, Dean E. et al. (2017). Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon–Metal Bond Cleavage. Journal of the American Chemical Society 139(2) , 910-921. 10.1021/jacs.6b11327. [PDB: 5u79, 5u7b, 5u7c, 5u82, 5u83]
  • Wilsbacher, Julie L.; Cheng, Min; Cheng, Dong; Trammell, Samuel A.J.; Shi, Yan et al. (2017). Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Molecular Cancer Therapeutics 16(7) , 1236-1245. 10.1158/1535-7163.mct-16-0819. [PDB: 5u2m]
  • Wong, Alan H. M.; Tomlinson, Aidan C. A.; Zhou, Dongxia; Satkunarajah, Malathy; Chen, Kevin et al. (2017). Receptor-binding loops in alphacoronavirus adaptation and evolution. Nature Communications 8(1) . 10.1038/s41467-017-01706-x. [PDB: 6atk]
  • Wong King Yuen, Siobhan M.; Campiglio, Marta; Tung, Ching-Chieh; Flucher, Bernhard E.; Van Petegem, Filip et al. (2017). Structural insights into binding of STAC proteins to voltage-gated calcium channels. Proceedings of the National Academy of Sciences of the United States of America 114(45) , 201708852. 10.1073/pnas.1708852114. [PDB: 6b29]
  • Xiong, Yumei; Walker, Kenneth; Min, Xiaoshan; Hale, Clarence; Tran, Thanhvien et al. (2017). Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys. Science Translational Medicine 9(412) , eaan8732. 10.1126/scitranslmed.aan8732. [PDB: 5vt2]
  • Yazdi, Aliakbar Khalili; Vezina, Grant C.; Shilton, Brian H. (2017). An alternate mode of oligomerization for E. coli SecA. Scientific Reports 7(1) . 10.1038/s41598-017-11648-5. [PDB: 5k9t]
  • Yeung, Kap-Sun; Beno, Brett R.; Parcella, Kyle; Bender, John A.; Grant-Young, Katherine A. et al. (2017). Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. Journal of Medicinal Chemistry 60(10) , 4369-4385. 10.1021/acs.jmedchem.7b00328. [PDB: 5pzp]
  • Zhang, Heng; Liu, Ke; Izumi, Natsuko; Huang, Haiming; Ding, Deqiang et al. (2017). Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2. Proceedings of the National Academy of Sciences of the United States of America 114(47) , 12483-12488. 10.1073/pnas.1711486114. [PDB: 5j39]
  • Zhang, Wei; Bailey-Elkin, Ben A.; Knaap, Robert C. M.; Khare, Baldeep; Dalebout, Tim J. et al. (2017). Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants. PLoS Pathogens 13(5) , e1006372. 10.1371/journal.ppat.1006372. [PDB: 5v5g, 5v5h, 5v6a]
  • Zhao, Jianhua; Beyrakhova, Ksenia; Liu, Yao; Alvarez, Claudia P.; Bueler, Stephanie A. et al. (2017). Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein. PLoS Pathogens 13(6) , e1006394. 10.1371/journal.ppat.1006394. [PDB: 5uf5, 5ufk]

2016

  • Aydin, Halil; Sultana, Azmiri; Li, Sheng; Thavalingam, Annoj; Lee, Jeffrey E. et al. (2016). Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex. Nature 534(7608) , 562-565. 10.1038/nature18595. [PDB: 5f4e, 5f4t, 5f4v]
  • Bergeron, Julien R.C.; Fernández, Lucia; Wasney, Gregory A.; Vuckovic, Marija; Reffuveille, Fany et al. (2016). The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing. Journal of Biological Chemistry 291(4) , 1676-1691. 10.1074/jbc.m115.684423. [PDB: 5cuk, 5cul]
  • Beyrakhova, Ksenia A.; van Straaten, Karin; Li, Lei; Boniecki, Michal T.; Anderson, Deborah H. et al. (2016). Structural and Functional Investigations of the Effector Protein LpiR1 from Legionella pneumophila. Journal of Biological Chemistry 291(30) , 15767-15777. 10.1074/jbc.m115.708701. [PDB: 5fia, 5jg4]
  • Blake, James F.; Burkard, Michael; Chan, Jocelyn; Chen, Huifen; Chou, Kang-Jye et al. (2016). Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. Journal of Medicinal Chemistry 59(12) , 5650-5660. 10.1021/acs.jmedchem.6b00389. [PDB: 5k4i]
  • Bloudoff, Kristjan; Alonzo, Diego A.; Schmeing, T. Martin (2016). Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases. Cell Chemical Biology 23(3) , 331-339. 10.1016/j.chembiol.2016.02.012. [PDB: 5du9, 5dua]
  • Bloudoff, Kristjan; Fage, Christopher D.; Marahiel, Mohamed A.; Schmeing, T. Martin (2016). Structural and mutational analysis of the nonribosomal peptide synthetase heterocyclization domain provides insight into catalysis. Proceedings of the National Academy of Sciences of the United States of America 114(1) , 95-100. 10.1073/pnas.1614191114. [PDB: 5t3e]
  • Bryson, Steve; Thomson, Christy A.; Risnes, Louise F.; Dasgupta, Somnath; Smith, Kenneth et al. (2016). Structures of Preferred Human IgV Genes–Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation. Journal of Immunology 196(11) , 4723-4730. 10.4049/jimmunol.1402890. [PDB: 4hh9, 4hha]
  • Caldwell, Shane J.; Huang, Yue; Berghuis, Albert M. (2016). Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2″)-Ia. Structure 24(6) , 935-945. 10.1016/j.str.2016.04.002. [PDB: 5byl, 5iqa, 5iqb, 5iqc, 5iqd, 5iqe, 5iqg, 5iqh]
  • Chaudet, Marcia M.; Rose, David R. (2016). Suggested alternative starch utilization system from the human gut bacterium Bacteroides thetaiotaomicron. Biochemistry and Cell Biology 94(3) , 241-246. 10.1139/bcb-2016-0002. [PDB: 5djw, 5f7c]
  • Chung, Ho-Ryun; Xu, Chao; Fuchs, Alisa; Mund, Andreas; Lange, Martin et al. (2016). PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3. eLife 5, e10607. 10.7554/elife.10607. [PDB: 3o70]
  • Crawford, Terry D.; Romero, F. Anthony; Lai, Kwong Wah; Tsui, Vickie; Taylor, Alexander M. et al. (2016). Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. Journal of Medicinal Chemistry 59(23) , 10549-10563. 10.1021/acs.jmedchem.6b01022. [PDB: 5ktw]
  • Crawford, Terry D.; Tsui, Vickie; Flynn, E. Megan; Wang, Shumei; Taylor, Alexander M. et al. (2016). Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. Journal of Medicinal Chemistry 59(11) , 5391-5402. 10.1021/acs.jmedchem.6b00264. [PDB: 5i29]
  • Das, Samir; Gilchrist, John; Bosmans, Frank; Van Petegem, Filip (2016). Binary architecture of the Nav1.2-β2 signaling complex. eLife 5, e10960. 10.7554/elife.10960. [PDB: 5feb]
  • Fowler, Melissa L.; McPhail, Jacob A.; Jenkins, Meredith L.; Masson, Glenn R.; Rutaganira, Florentine U. et al. (2016). Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIIIβ with Rab11. Protein Science 25(4) , 826-839. 10.1002/pro.2879. [PDB: 5c46, 5c4g]
  • Gayda, Susan; Longenecker, Kenton L.; Judge, Russell A.; Swift, Kerry M.; Manoj, Sharmila et al. (2016). Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein. Biopolymers 105(4) , 234-243. 10.1002/bip.22801. [PDB: 5dyo]
  • Getlik, Matthäus; Smil, David; Zepeda-Velázquez, Carlos; Bolshan, Yuri; Poda, Gennady et al. (2016). Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). Journal of Medicinal Chemistry 59(6) , 2478-2496. 10.1021/acs.jmedchem.5b01630. [PDB: 5eam, 5eap]
  • Gorelik, Alexei; Heinz, Leonhard X.; Illes, Katalin; Superti-Furga, Giulio; Nagar, Bhushan et al. (2016). Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity. Journal of Biological Chemistry 291(46) , 24054-24064. 10.1074/jbc.m116.755801.
  • Gorelik, Alexei; Illes, Katalin; Heinz, Leonhard X.; Superti-Furga, Giulio; Nagar, Bhushan et al. (2016). Crystal structure of mammalian acid sphingomyelinase. Nature Communications 7(1) . 10.1038/ncomms12196. [PDB: 5fi9, 5fib, 5fic, 5hqn]
  • Gorelik, Alexei; Illes, Katalin; Superti-Furga, Giulio; Nagar, Bhushan (2016). Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A. Journal of Biological Chemistry 291(12) , 6376-6385. 10.1074/jbc.m115.711085. [PDB: 5fc1, 5fc6, 5fc7, 5fca, 5fcb]
  • Gruninger, Robert J.; Cote, Chris; McAllister, Tim A.; Abbott, D. Wade (2016). Contributions of a unique β-clamp to substrate recognition illuminates the molecular basis of exolysis in ferulic acid esterases. Biochemical Journal 473(7) , 839-849. 10.1042/bj20151153. [PDB: 5cxu, 5cxx]
  • Hackos, David H.; Lupardus, Patrick J.; Grand, Teddy; Chen, Yelin; Wang, Tzu-Ming et al. (2016). Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron 89(5) , 983-999. 10.1016/j.neuron.2016.01.016. [PDB: 5h8h]
  • Haji-Ghassemi, Omid; Gilbert, Michel; Spence, Jenifer; Schur, Melissa J.; Parker, Matthew J. et al. (2016). Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[β1→4]GlcNAc), by Wisteria floribunda Agglutinin. Journal of Biological Chemistry 291(46) , 24085-24095. 10.1074/jbc.m116.750463. [PDB: 5kxb, 5kxc, 5kxd, 5kxe]
  • Hendsbee, Arthur D.; Sun, Jon-Paul; Law, Wai Kit; Yan, He; Hill, Ian G. et al. (2016). Synthesis, Self-Assembly, and Solar Cell Performance of N-Annulated Perylene Diimide Non-Fullerene Acceptors. Chemistry of Materials 28(19) , 7098-7109. 10.1021/acs.chemmater.6b03292.
  • Hewitt, Stephen Nakazawa; Dranow, David M.; Horst, Benjamin G.; Abendroth, Jan A.; Forte, Barbara et al. (2016). Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase. ACS Infectious Diseases 3(1) , 34-44. 10.1021/acsinfecdis.6b00078. [PDB: 4wi1, 5ifu]
  • Hobbs, Joanne K.; Lee, Seunghyae M.; Robb, Melissa; Hof, Fraser; Barr, Christopher et al. (2016). KdgF, the missing link in the microbial metabolism of uronate sugars from pectin and alginate. Proceedings of the National Academy of Sciences of the United States of America 113(22) , 6188-6193. 10.1073/pnas.1524214113. [PDB: 5fpx, 5fpz]
  • Hughes, Scott J.; Antoshchenko, Tetyana; Chen, Yun; Lu, Hua; Pizarro, Juan C. et al. (2016). Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. PLoS ONE 11(5) , e0154862. 10.1371/journal.pone.0154862. [PDB: 5evz, 5ex5, 5exw, 5f0x, 5f2r]
  • Hughes, Scott J.; Barnard, Leanne; Mottaghi, Katayoun; Tempel, Wolfram; Antoshchenko, Tetyana et al. (2016). Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ACS Infectious Diseases 2(9) , 627-641. 10.1021/acsinfecdis.6b00090. [PDB: 5jic]
  • Jha, Vikash; Bian, Chuanbing; Xing, Guangxin; Ling, Hong (2016). Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase κ. Nucleic Acids Research 44(10) , 4957-4967. 10.1093/nar/gkw204. [PDB: 4u6p, 4u7c]
  • Johnson, Troy A.; Mcleod, Matthew J.; Holyoak, Todd (2016). Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase. Biochemistry 55(3) , 575-587. 10.1021/acs.biochem.5b01215. [PDB: 5fh0, 5fh1, 5fh2]
  • Jones, Michael D.; Chan, Anson C. K.; Nomellini, John F.; Murphy, Michael E. P.; Smit, John et al. (2016). Surface-layer protein fromCaulobacter crescentus: expression, purification and X-ray crystallographic analysis. Acta Crystallographica Section F:Structural Biology Communications 72(9) , 677-680. 10.1107/s2053230x16011638.
  • King, Andrew M.; King, Dustin T.; French, Shawn; Brouillette, Eric; Asli, Abdelhamid et al. (2016). Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-β-Lactamases and Penicillin-Binding Proteins. ACS Chemical Biology 11(4) , 864-868. 10.1021/acschembio.5b00944. [PDB: 5fa7, 5fao, 5fap, 5faq, 5fas, 5fat, 5fgz]
  • Kobylarz, Marek J.; Grigg, Jason C.; Liu, Yunan; Lee, Mathew S. F.; Heinrichs, David E. et al. (2016). Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry 55(6) , 927-939. 10.1021/acs.biochem.5b01045. [PDB: 5d84]
  • Langelaan, David N.; Liburd, Janine; Yang, Yidai; Miller, Emily; Chitayat, Seth et al. (2016). Structure of the Single-lobe Myosin Light Chain C in Complex with the Light Chain-binding Domains of Myosin-1C Provides Insights into Divergent IQ Motif Recognition. Journal of Biological Chemistry 291(37) , 19607-19617. 10.1074/jbc.m116.746313. [PDB: 5ibw]
  • Leaver-Fay, Andrew; Froning, Karen J.; Atwell, Shane; Aldaz, Hector; Pustilnik, Anna et al. (2016). Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 24(4) , 641-651. 10.1016/j.str.2016.02.013. [PDB: 5dj0, 5dj2]
  • Lee, Samuel K.; Shanmughapriya, Santhanam; Mok, Mac C.Y.; Dong, Zhiwei; Tomar, Dhanendra et al. (2016). Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations. Cell Chemical Biology 23(9) , 1157-1169. 10.1016/j.chembiol.2016.07.012. [PDB: 5kue, 5kug, 5kui, 5kuj]
  • Liu, Longbin; Lee, Matthew R.; Kim, Joseph L.; Whittington, Douglas A.; Bregman, Howard et al. (2016). Purinylpyridinylamino-based DFG-in/αC-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling. Bioorganic and Medicinal Chemistry 24(10) , 2215-2234. 10.1016/j.bmc.2016.03.055. [PDB: 5fd2]
  • Lugo, Miguel R.; Ravulapalli, Ravikiran; Dutta, Debajyoti; Rod Merrill, A. (2016). Structural variability of C3larvin toxin. Intrinsic dynamics of the α/β fold of the C3-like group of mono-ADP-ribosyltransferase toxins. Journal of Biomolecular Structure and Dynamics , 2537-2560. 10.1080/07391102.2015.1123189. [PDB: 5dzq]
  • Lyons, Bronwyn; Ravulapalli, Ravikiran; Lanoue, Jason; Lugo, Miguel R.; Dutta, Debajyoti et al. (2016). Scabin, a Novel DNA-acting ADP-ribosyltransferase from Streptomyces scabies. Journal of Biological Chemistry 291(21) , 11198-11215. 10.1074/jbc.m115.707653. [PDB: 5daz, 5ewk, 5ewy]
  • Malia, Thomas J.; Teplyakov, Alexey; Ernst, Robin; Wu, Sheng‐Jiun; Lacy, Eilyn R. et al. (2016). Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti‐tau antibody AT8. Proteins: Structure. Function and Bioinformatics 84(4) , 427-434. 10.1002/prot.24988. [PDB: 5e2w]
  • Mann, Paul A.; Müller, Anna; Wolff, Kerstin A.; Fischmann, Thierry; Wang, Hao et al. (2016). Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets. PLoS Pathogens 12(5) , e1005585. 10.1371/journal.ppat.1005585. [PDB: 5enz]
  • Mazurkewich, Scott; Brott, Ashley S.; Kimber, Matthew S.; Seah, Stephen Y.K. (2016). Structural and Kinetic Characterization of the 4-Carboxy-2-hydroxymuconate Hydratase from the Gallate and Protocatechuate 4,5-Cleavage Pathways of Pseudomonas putida KT2440. Journal of Biological Chemistry 291(14) , 7669-7686. 10.1074/jbc.m115.682054. [PDB: 5cgz]
  • McGurn, Leah D.; Moazami-Goudarzi, Maryam; White, Sean A.; Suwal, Tannu; Brar, Beant et al. (2016). The structure, kinetics and interactions of the β-carboxysomal β-carbonic anhydrase, CcaA. Biochemical Journal 473(24) , 4559-4572. 10.1042/bcj20160773. [PDB: 5swc]
  • Moustakim, Moses; Clark, Peter G. K.; Trulli, Laura; Fuentes de Arriba, Angel L.; Ehebauer, Matthias T. et al. (2016). Discovery of a PCAF Bromodomain Chemical Probe. Angewandte Chemie - International Edition 56(3) , 827-831. 10.1002/anie.201610816. [PDB: 5tpx]
  • Movahedin, Mohammadreza; Brooks, Teresa M; Supekar, Nitin T; Gokanapudi, Naveen; Boons, Geert-Jan et al. (2016). Glycosylation of MUC1 influences the binding of a therapeutic antibody by altering the conformational equilibrium of the antigen. Glycobiology , 677-687. 10.1093/glycob/cww131. [PDB: 5t6p, 5t78]
  • Myers, Cullen L.; Li, Franco K.K.; Koo, Byoung-Mo; El-Halfawy, Omar M.; French, Shawn et al. (2016). Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component. Journal of Biological Chemistry 291(50) , 26066-26082. 10.1074/jbc.m116.760447. [PDB: 5t91, 5t9b, 5t9c]
  • Nicklisch, Sascha C. T.; Rees, Steven D.; McGrath, Aaron P.; Gökirmak, Tufan; Bonito, Lindsay T. et al. (2016). Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure. Science advances 2(4) , e1600001-e1600001. 10.1126/sciadv.1600001. [PDB: 4xwk]
  • Noach, Ilit; Pluvinage, Benjamin; Laurie, Cassandra; Abe, Kento T.; Alteen, Matthew G. et al. (2016). The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium perfringens. Journal of Molecular Biology 428(16) , 3253-3265. 10.1016/j.jmb.2016.03.020. [PDB: 5fqe, 5fqg, 5fqh, 5fr0]
  • Ovchinnikova, Olga G.; Mallette, Evan; Koizumi, Akihiko; Lowary, Todd L.; Kimber, Matthew S. et al. (2016). Bacterial β-Kdo glycosyltransferases represent a new glycosyltransferase family (GT99). Proceedings of the National Academy of Sciences of the United States of America 113(22) , 3120-3129. 10.1073/pnas.1603146113. [PDB: 5fa0, 5fa1]
  • Parker, Michelle L.; Houston, Simon; Pětrošová, Helena; Lithgow, Karen V.; Hof, Rebecca et al. (2016). The Structure of Treponema pallidum Tp0751 (Pallilysin) Reveals a Non-canonical Lipocalin Fold That Mediates Adhesion to Extracellular Matrix Components and Interactions with Host Cells. PLoS Pathogens 12(9) , e1005919. 10.1371/journal.ppat.1005919. [PDB: 5jk2]
  • Parker, Michelle L.; Houston, Simon; Wetherell, Charmaine; Cameron, Caroline E.; Boulanger, Martin J. et al. (2016). The Structure of Treponema pallidum Tp0624 Reveals a Modular Assembly of Divergently Functionalized and Previously Uncharacterized Domains. PLoS ONE 11(11) , e0166274. 10.1371/journal.pone.0166274. [PDB: 5jir]
  • Reimer, Janice M.; Aloise, Martin N.; Harrison, Paul M.; Martin Schmeing, T. (2016). Synthetic cycle of the initiation module of a formylating nonribosomal peptide synthetase. Nature 529(7585) , 239-242. 10.1038/nature16503. [PDB: 5es5, 5es6, 5es7, 5es8, 5es9]
  • Reimer, Janice M.; Aloise, Martin N.; Powell, Harold R.; Schmeing, T. Martin (2016). Manipulation of an existing crystal form unexpectedly results in interwoven packing networks with pseudo-translational symmetry. Acta Crystallographica Section D: Structural Biology 72(10) , 1130-1136. 10.1107/s2059798316013504. [PDB: 5jnf]
  • Richter, Jeremy M.; Cheney, Daniel L.; Bates, J. Alex; Wei, Anzhi; Luettgen, Joseph M. et al. (2016). Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Medicinal Chemistry Letters 8(1) , 67-72. 10.1021/acsmedchemlett.6b00375. [PDB: 5tqe]
  • Roach, Elyse J.; Wroblewski, Charles; Seidel, Laura; Berezuk, Alison M.; Brewer, Dyanne et al. (2016). Structure and Mutational Analyses of Escherichia coli ZapD Reveal Charged Residues Involved in FtsZ Filament Bundling. Journal of Bacteriology 198(11) , 1683-1693. 10.1128/jb.00969-15. [PDB: 5dko]
  • Rutaganira, Florentine U.; Fowler, Melissa L.; McPhail, Jacob A.; Gelman, Michael A.; Nguyen, Khanh et al. (2016). Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase IIIβ. Journal of Medicinal Chemistry 59(5) , 1830-1839. 10.1021/acs.jmedchem.5b01311. [PDB: 5euq]
  • Sack, John S.; Gao, Mian; Kiefer, Susan E.; Myers, Joseph E.; Newitt, John A. et al. (2016). Crystal structure of microtubule affinity-regulating kinase 4 catalytic domain in complex with a pyrazolopyrimidine inhibitor. Acta Crystallographica Section F:Structural Biology Communications 72(2) , 129-134. 10.1107/s2053230x15024747. [PDB: 5es1]
  • Shaw, Alice T.; Friboulet, Luc; Leshchiner, Ignaty; Gainor, Justin F.; Bergqvist, Simon et al. (2016). Resensitization to Crizotinib by the LorlatinibALKResistance Mutation L1198F. New England Journal of Medicine 374(1) , 54-61. 10.1056/nejmoa1508887. [PDB: 5a9u, 5aac]
  • Skovpen, Yulia V.; Conly, Cuylar J. T.; Sanders, David A. R.; Palmer, David R. J. (2016). Biomimetic Design Results in a Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase from Campylobacter jejuni. Journal of the American Chemical Society 138(6) , 2014-2020. 10.1021/jacs.5b12695. [PDB: 5f1u, 5f1v]
  • Sobhanifar, Solmaz; Worrall, Liam J.; King, Dustin T.; Wasney, Gregory A.; Baumann, Lars et al. (2016). Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid β-glycosyltransferase Involved in Methicillin Resistance. PLoS Pathogens 12(12) , e1006067. 10.1371/journal.ppat.1006067. [PDB: 5tzi, 5tzj, 5u02]
  • Taylor, Alexander M.; Côté, Alexandre; Hewitt, Michael C.; Pastor, Richard; Leblanc, Yves et al. (2016). Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). ACS Medicinal Chemistry Letters 7(5) , 531-536. 10.1021/acsmedchemlett.6b00075. [PDB: 5i83, 5i86]
  • Tebben, Andrew J.; Ruzanov, Maxim; Gao, Mian; Xie, Dianlin; Kiefer, Susan E. et al. (2016). Crystal structures of apo and inhibitor-bound TGFβR2 kinase domain: insights into TGFβR isoform selectivity. Acta Crystallographica Section D: Structural Biology 72(5) , 658-674. 10.1107/s2059798316003624. [PDB: 5e8u]
  • Ulaganathan, ThirumalaiSelvi; Shi, Rong; Yao, Deqiang; Gu, Ruo-Xu; Garron, Marie-Line et al. (2016). Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III fromBacteroides thetaiotaomicron(BT4657). Glycobiology 27(2) , 176-187. 10.1093/glycob/cww096. [PDB: 5jmd, 5jmf]
  • Vashchenko, Ganna; Das, Samir; Moon, Kyung-Mee; Rogalski, Jason C.; Taves, Matthew D. et al. (2016). Identification of Avian Corticosteroid-binding Globulin (SerpinA6) Reveals the Molecular Basis of Evolutionary Adaptations in SerpinA6 Structure and Function as a Steroid-binding Protein. Journal of Biological Chemistry 291(21) , 11300-11312. 10.1074/jbc.m116.714378. [PDB: 5hgc]
  • Vinogradova, Maia; Gehling, Victor S; Gustafson, Amy; Arora, Shilpi; Tindell, Charles A et al. (2016). An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells. Nature Chemical Biology 12(7) , 531-538. 10.1038/nchembio.2085. [PDB: 5ceh]
  • Wahba, Haytham M.; Lecoq, Lauriane; Stevenson, Michael; Mansour, Ahmed; Cappadocia, Laurent et al. (2016). Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg–Carbon Bond Cleavage and Metal Binding Specificity. Biochemistry 55(7) , 1070-1081. 10.1021/acs.biochem.5b01298. [PDB: 5c17]
  • Watterson, Scott H.; De Lucca, George V.; Shi, Qing; Langevine, Charles M.; Liu, Qingjie et al. (2016). Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton’s Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. Journal of Medicinal Chemistry 59(19) , 9173-9200. 10.1021/acs.jmedchem.6b01088. [PDB: 5t18]
  • Wheatley, Robert W.; Ng, Kenneth K.S.; Kapoor, Manju (2016). Fungal cobalamin-independent methionine synthase: Insights from the model organism, Neurospora crassa. Archives of Biochemistry and Biophysics 590, 125-137. 10.1016/j.abb.2015.11.037. [PDB: 4zty]
  • Wu, Wen-Lian; Hao, Jinsong; Domalski, Martin; Burnett, Duane A.; Pissarnitski, Dmitri et al. (2016). Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes. ACS Medicinal Chemistry Letters 7(5) , 498-501. 10.1021/acsmedchemlett.6b00027. [PDB: 5i7u]
  • Wu, Yong-Jin; Guernon, Jason; Shi, Jianliang; Marcin, Lawrence; Higgins, Mendi et al. (2016). Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine β-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. Journal of Medicinal Chemistry 59(18) , 8593-8600. 10.1021/acs.jmedchem.6b01012. [PDB: 5kr8]
  • Yamniuk, Aaron P.; Suri, Anish; Krystek, Stanley R.; Tamura, James; Ramamurthy, Vidhyashankar et al. (2016). Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope. Journal of Molecular Biology 428(14) , 2860-2879. 10.1016/j.jmb.2016.05.014. [PDB: 5dmi, 5dmj]
  • Zhou, Yan-Feng; Metcalf, Matthew C.; Garman, Scott C.; Edmunds, Tim; Qiu, Huawei et al. (2016). Human acid sphingomyelinase structures provide insight to molecular basis of Niemann–Pick disease. Nature Communications 7(1) . 10.1038/ncomms13082. [PDB: 5i8r]

2015

  • Bacik, John-Paul; Klesmith, Justin R.; Whitehead, Timothy A.; Jarboe, Laura R.; Unkefer, Clifford J. et al. (2015). Producing Glucose 6-Phosphate from Cellulosic Biomass. Journal of Biological Chemistry 290(44) , 26638-26648. 10.1074/jbc.m115.674614. [PDB: 4yh5, 4zfv, 4zlu, 5bsb]
  • Baker, Perrin; Whitfield, Gregory B.; Hill, Preston J.; Little, Dustin J.; Pestrak, Matthew J. et al. (2015). Characterization of the Pseudomonas aeruginosa Glycoside Hydrolase PslG Reveals That Its Levels Are Critical for Psl Polysaccharide Biosynthesis and Biofilm Formation. Journal of Biological Chemistry 290(47) , 28374-28387. 10.1074/jbc.m115.674929. [PDB: 5bxa]
  • Baugh, Loren; Phan, Isabelle; Begley, Darren W.; Clifton, Matthew C.; Armour, Brianna et al. (2015). Increasing the structural coverage of tuberculosis drug targets. Tuberculosis 95(2) , 142-148. 10.1016/j.tube.2014.12.003. [PDB: 3tx2]
  • Blackler, Ryan J; Evans, Dylan W; Smith, David F; Cummings, Richard D; Brooks, Cory L et al. (2015). Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishesN-glycan phosphorylation in a branch-specific manner. Glycobiology 26(2) , 181-192. 10.1093/glycob/cwv093. [PDB: 4rzc]
  • Calmettes, Charles; Ing, Christopher; Buckwalter, Carolyn M.; El Bakkouri, Majida; Chieh-Lin Lai, Christine et al. (2015). The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD. Nature Communications 6(1) . 10.1038/ncomms8996. [PDB: 4rdr, 4rvw]
  • Cappadocia, Laurent; Mascle, Xavier H.; Bourdeau, Véronique; Tremblay-Belzile, Samuel; Chaker-Margot, Malik et al. (2015). Structural and Functional Characterization of the Phosphorylation-Dependent Interaction between PML and SUMO1. Structure 23(1) , 126-138. 10.1016/j.str.2014.10.015. [PDB: 4wjn]
  • Chan, Anson C.K.; Blair, Kris M.; Liu, Yanjie; Frirdich, Emilisa; Gaynor, Erin C. et al. (2015). Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4. Journal of Biological Chemistry 290(6) , jbc.M114.624734. 10.1074/jbc.m114.624734. [PDB: 4wck, 4wcl, 4wcm, 4wcn]
  • Clifton, Matthew C.; Dranow, David M.; Leed, Alison; Fulroth, Ben; Fairman, James W. et al. (2015). A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. PLoS ONE 10(4) , e0125010. 10.1371/journal.pone.0125010. [PDB: 4wmu]
  • Concha, Nestor O.; Smallwood, Angela; Bonnette, William; Totoritis, Rachel; Zhang, Guofeng et al. (2015). Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1αEndoribonuclease Activity. Molecular Pharmacology 88(6) , 1011-1023. 10.1124/mol.115.100917. [PDB: 4yzd]
  • Cook, Jonathan D.; Soto-Montoya, Hazel; Korpela, Markus K.; Lee, Jeffrey E. (2015). Electrostatic Architecture of the Infectious Salmon Anemia Virus (ISAV) Core Fusion Protein Illustrates a Carboxyl-Carboxylate pH Sensor. Journal of Biological Chemistry 290(30) , 18495-18504. 10.1074/jbc.m115.644781. [PDB: 4xyp]
  • Cuskin, Fiona; Lowe, Elisabeth C.; Temple, Max J.; Zhu, Yanping; Cameron, Elizabeth A. et al. (2015). Human gut Bacteroidetes can utilize yeast mannan through a selfish mechanism. Nature 517(7533) , 165-169. 10.1038/nature13995. [PDB: 4c1r, 4c1s]
  • D’Costa, Vanessa M.; Braun, Virginie; Landekic, Marija; Shi, Rong; Proteau, Ariane et al. (2015). Salmonella Disrupts Host Endocytic Trafficking by SopD2-Mediated Inhibition of Rab7. Cell Reports 12(9) , 1508-1518. 10.1016/j.celrep.2015.07.063. [PDB: 5cq9]
  • Doores, Katie J.; Kong, Leopold; Krumm, Stefanie A.; Le, Khoa M.; Sok, Devin et al. (2015). Two Classes of Broadly Neutralizing Antibodies within a Single Lineage Directed to the High-Mannose Patch of HIV Envelope. Journal of Virology 89(2) , 1105-1118. 10.1128/jvi.02905-14. [PDB: 4rnr]
  • Farha, Maya A.; Czarny, Tomasz L.; Myers, Cullen L.; Worrall, Liam J.; French, Shawn et al. (2015). Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase. Proceedings of the National Academy of Sciences of the United States of America 112(35) , 11048-11053. 10.1073/pnas.1511751112. [PDB: 5cqb, 5cqj]
  • Frandoloso, Rafael; Martínez-Martínez, Sonia; Calmettes, Charles; Fegan, Jamie; Costa, Estela et al. (2015). Nonbinding Site-Directed Mutants of Transferrin Binding Protein B Exhibit Enhanced Immunogenicity and Protective Capabilities. Infection and Immunity 83(3) , 1030-1038. 10.1128/iai.02572-14. [PDB: 4o3w, 4o3x, 4o3y, 4o3z, 4o49, 4o4u, 4o4x]
  • Galka, Marek M.; Rajagopalan, Nandhakishore; Buhrow, Leann M.; Nelson, Ken M.; Switala, Jacek et al. (2015). Identification of Interactions between Abscisic Acid and Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase. PLoS ONE 10(7) , e0133033. 10.1371/journal.pone.0133033.
  • Grebien, Florian; Vedadi, Masoud; Getlik, Matthäus; Giambruno, Roberto; Grover, Amit et al. (2015). Pharmacological targeting of the Wdr5-MLL interaction in C/EBPα N-terminal leukemia. Nature Chemical Biology 11(8) , 571-578. 10.1038/nchembio.1859. [PDB: 4ql1]
  • Gregg, Katie J.; Suits, Michael D.L.; Deng, Lehua; Vocadlo, David J.; Boraston, Alisdair B. et al. (2015). Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism. Journal of Biological Chemistry 290(42) , 25657-25669. 10.1074/jbc.m115.680470.
  • Gritzalis, Dimitrios; Park, Jaeok; Chiu, Wei; Cho, Hyungjun; Lin, Yih-Shyan et al. (2015). Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase. Bioorganic and Medicinal Chemistry Letters 25(5) , 1117-1123. 10.1016/j.bmcl.2014.12.089. [PDB: 4qxs]
  • Haji-Ghassemi, Omid; Müller-Loennies, Sven; Rodriguez, Teresa; Brade, Lore; Kosma, Paul et al. (2015). Structural Basis for Antibody Recognition of Lipid A. Journal of Biological Chemistry 290(32) , 19629-19640. 10.1074/jbc.m115.657874. [PDB: 4odt, 4odu, 4odv, 4odw, 4z8f, 4z95]
  • Heald, Robert; Bowman, Krista K.; Bryan, Marian C.; Burdick, Daniel; Chan, Bryan et al. (2015). Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. Journal of Medicinal Chemistry 58(22) , 8877-8895. 10.1021/acs.jmedchem.5b01412. [PDB: 5cal, 5cao, 5cap]
  • Helliwell, John R.; Mitchell, Edward P. (2015). Synchrotron radiation macromolecular crystallography: science and spin-offs. IUCrJ 2(2) , 283-291. 10.1107/s205225251402795x.
  • Huang, Ji; Malhi, Manpreet; Deneke, Jan; Fraser, Marie Elizabeth (2015). Structure of GTP-specific succinyl-CoA synthetase in complex with CoA. Acta Crystallographica Section F:Structural Biology Communications 71(8) , 1067-1071. 10.1107/s2053230x15011188. [PDB: 4xx0]
  • Jarvis, Thale C.; Davies, Douglas R.; Hisaminato, Akihiko; Resnicow, Daniel I.; Gupta, Shashi et al. (2015). Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor. Structure 23(7) , 1293-1304. 10.1016/j.str.2015.03.027. [PDB: 4zbn]
  • Kim, Jitae; Kimber, Matthew S.; Nishimura, Kenji; Friso, Giulia; Schultz, Lance et al. (2015). Structures, Functions, and Interactions of ClpT1 and ClpT2 in the Clp Protease System of Arabidopsis Chloroplasts. Plant Cell 27(5) , 1477-1496. 10.1105/tpc.15.00106. [PDB: 4y0b]
  • Krska, Daniel; Ravulapalli, Ravikiran; Fieldhouse, Robert J.; Lugo, Miguel R.; Merrill, A. Rod et al. (2015). C3larvin Toxin, an ADP-ribosyltransferase from Paenibacillus larvae. Journal of Biological Chemistry 290(3) , 1639-1653. 10.1074/jbc.m114.589846. [PDB: 4tr5]
  • Kwan, David H.; Constantinescu, Iren; Chapanian, Rafi; Higgins, Melanie A.; Kötzler, Miriam P et al. (2015). Toward Efficient Enzymes for the Generation of Universal Blood through Structure-Guided Directed Evolution. Journal of the American Chemical Society 137(17) , 5695-5705. 10.1021/ja5116088. [PDB: 4d6c, 4d6d, 4d6e, 4d6g]
  • Lang, Shenhui; Cressatti, Marisa; Mendoza, Kris E.; Coumoundouros, Chelsea N.; Plater, Samantha M. et al. (2015). YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter. Biochemistry 54(37) , 5735-5747. 10.1021/acs.biochem.5b00274. [PDB: 4wep]
  • Little, Dustin J.; Milek, Sonja; Bamford, Natalie C.; Ganguly, Tridib; DiFrancesco, Benjamin R. et al. (2015). The Protein BpsB Is a Poly-β-1,6-N-acetyl-d-glucosamine Deacetylase Required for Biofilm Formation in Bordetella bronchiseptica. Journal of Biological Chemistry 290(37) , 22827-22840. 10.1074/jbc.m115.672469. [PDB: 5bu6]
  • Liu, Yiyi; Khalili Najafabadi, Bahareh; Azizpoor Fard, Mahmood; Corrigan, John F. (2015). A Functionalized Ag2S Molecular Architecture: Facile Assembly of the Atomically Precise Ferrocene-Decorated Nanocluster [Ag74S19(dppp)6(fc(C{O}OCH2CH2S)2)18]. Angewandte Chemie 127(16) , 4914-4917. 10.1002/ange.201411944.
  • Loewen, Peter C.; Villanueva, Jacylyn; Switala, Jacek; Donald, Lynda J.; Ivancich, Anabella et al. (2015). Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity ofBacillus pumiluscatalase monitored by X-ray crystallography and EPR spectroscopy. Proteins: Structure. Function and Bioinformatics 83(5) , 853-866. 10.1002/prot.24777. [PDB: 4qol, 4qom, 4qon, 4qoo, 4qop, 4qoq]
  • Lugo, Miguel; Merrill, A. (2015). The Father, Son and Cholix Toxin: The Third Member of the DT Group Mono-ADP-Ribosyltransferase Toxin Family. Toxins 7(8) , 2757-2772. 10.3390/toxins7082757.
  • Lugo, Miguel R.; Merrill, A. Rod (2015). Pocket analysis of the full-length cholix toxin. An assessment of the structure–dynamics of theapocatalytic domain. Journal of Biomolecular Structure and Dynamics 33(11) , 2452-2468. 10.1080/07391102.2014.1000972.
  • Ndubaku, Chudi O.; Crawford, James J.; Drobnick, Joy; Aliagas, Ignacio; Campbell, David et al. (2015). Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pKa Polar Moiety. ACS Medicinal Chemistry Letters 6(12) , 1241-1246. 10.1021/acsmedchemlett.5b00398.
  • Ndubaku, Chudi O.; Crawford, Terry D.; Chen, Huifen; Boggs, Jason W.; Drobnick, Joy et al. (2015). Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. ACS Medicinal Chemistry Letters 6(8) , 913-918. 10.1021/acsmedchemlett.5b00174.
  • Parker, Aulma; Petluru, Pavankumar; Nienaber, Vicki; Badger, John; Leverett, Betsy et al. (2015). Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787. Molecules 20(3) , 4928-4950. 10.3390/molecules20034928.
  • Parker, Michelle L.; Penarete-Vargas, Diana M.; Hamilton, Phineas T.; Guérin, Amandine; Dubey, Jitender P. et al. (2015). Dissecting the interface between apicomplexan parasite and host cell: Insights from a divergent AMA–RON2 pair. Proceedings of the National Academy of Sciences of the United States of America 113(2) , 398-403. 10.1073/pnas.1515898113. [PDB: 4z80, 4z81]
  • Pfoh, Roland; Lacdao, Ira Kay; Georges, Anna A.; Capar, Adam; Zheng, Hong et al. (2015). Crystal Structure of USP7 Ubiquitin-like Domains with an ICP0 Peptide Reveals a Novel Mechanism Used by Viral and Cellular Proteins to Target USP7. PLoS Pathogens 11(6) , e1004950. 10.1371/journal.ppat.1004950. [PDB: 4wpi]
  • Piper, Derek E.; Romanow, William G.; Gunawardane, Ruwanthi N.; Fordstrom, Preston; Masterman, Stephanie et al. (2015). The high-resolution crystal structure of human LCAT. Journal of Lipid Research 56(9) , 1711-1719. 10.1194/jlr.m059873. [PDB: 4xwg]
  • Raheem, Izzat T.; Walji, Abbas M.; Klein, Daniel; Sanders, John M.; Powell, David A. et al. (2015). Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. Journal of Medicinal Chemistry 58(20) , 8154-8165. 10.1021/acs.jmedchem.5b01037. [PDB: 4ztf]
  • Ravulapalli, Ravikiran; Lugo, Miguel R.; Pfoh, Roland; Visschedyk, Danielle; Poole, Amanda et al. (2015). Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus. Biochemistry 54(38) , 5920-5936. 10.1021/acs.biochem.5b00921. [PDB: 4y1w, 4yc0]
  • Ren, Li; Grina, Jonas; Moreno, David; Blake, James F.; Gaudino, John J. et al. (2015). Discovery of Highly Potent, Selective, and Efficacious Small Molecule Inhibitors of ERK1/2. Journal of Medicinal Chemistry 58(4) , 1976-1991. 10.1021/jm501921k. [PDB: 4xj0]
  • Robb, Melissa; Robb, Craig S.; Higgins, Melanie A.; Hobbs, Joanne K.; Paton, James C. et al. (2015). A Second β-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans. Journal of Biological Chemistry 290(52) , 30888-30900. 10.1074/jbc.m115.688630. [PDB: 5a6a, 5a6b, 5a6k, 5ac5]
  • Scapin, Giovanna; Yang, Xiaoyu; Prosise, Winifred W; McCoy, Mark; Reichert, Paul et al. (2015). Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab. Nature Structural and Molecular Biology 22(12) , 953-958. 10.1038/nsmb.3129. [PDB: 5dk3]
  • Shin, Youngsook; Suchomel, Julia; Cardozo, Mario; Duquette, Jason; He, Xiao et al. (2015). Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3Kδ Inhibitors. Journal of Medicinal Chemistry 59(1) , 431-447. 10.1021/acs.jmedchem.5b01651. [PDB: 5eds]
  • Singh, Sheo B.; Kaelin, David E.; Wu, Jin; Miesel, Lynn; Tan, Christopher M. et al. (2015). Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2). Bioorganic and Medicinal Chemistry Letters 25(9) , 1831-1835. 10.1016/j.bmcl.2015.03.044. [PDB: 5bs3]
  • Sit, Brandon; Crowley, Shauna M.; Bhullar, Kirandeep; Lai, Christine Chieh-Lin; Tang, Calvin et al. (2015). Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen. PLoS Pathogens 11(8) , e1005107. 10.1371/journal.ppat.1005107. [PDB: 4r72, 4r73]
  • Sivaprakasam, Prasanna; Han, Xiaojun; Civiello, Rita L.; Jacutin-Porte, Swanee; Kish, Kevin et al. (2015). Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorganic and Medicinal Chemistry Letters 25(9) , 1856-1863. 10.1016/j.bmcl.2015.03.046. [PDB: 4ptc]
  • Szewczyk, Paul; Tao, Houchao; McGrath, Aaron P.; Villaluz, Mark; Rees, Steven D. et al. (2015). Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallographica Section D Biological Crystallography 71(3) , 732-741. 10.1107/s1399004715000978. [PDB: 4q9i, 4q9j, 4q9l]
  • Taylor, Alexander M.; Vaswani, Rishi G.; Gehling, Victor S.; Hewitt, Michael C.; Leblanc, Yves et al. (2015). Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. ACS Medicinal Chemistry Letters 7(2) , 145-150. 10.1021/ml500411h. [PDB: 4z1s]
  • Tokarski, John S.; Zupa-Fernandez, Adriana; Tredup, Jeffrey A.; Pike, Kristen; Chang, ChiehYing et al. (2015). Tyrosine Kinase 2-mediated Signal Transduction in T Lymphocytes Is Blocked by Pharmacological Stabilization of Its Pseudokinase Domain. Journal of Biological Chemistry 290(17) , 11061-11074. 10.1074/jbc.m114.619502. [PDB: 4wov]
  • Vadlamani, Grishma; Thomas, Misty D.; Patel, Trushar R.; Donald, Lynda J.; Reeve, Thomas M. et al. (2015). The β-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide. Journal of Biological Chemistry 290(5) , 2630-2643. 10.1074/jbc.m114.618199. [PDB: 4wkm]
  • van Straaten, Karin E.; Kuttiyatveetil, Jijin R. A.; Sevrain, Charlotte M.; Villaume, Sydney A.; Jiménez-Barbero, Jesús et al. (2015). Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. Journal of the American Chemical Society 137(3) , 1230-1244. 10.1021/ja511204p. [PDB: 4rpg, 4rph, 4rpj, 4rpk, 4rpl]
  • Volkers, Gesa; Worrall, Liam J; Kwan, David H; Yu, Ching-Ching; Baumann, Lars et al. (2015). Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation. Nature Structural and Molecular Biology 22(8) , 627-635. 10.1038/nsmb.3060. [PDB: 5bo6, 5bo7, 5bo8]
  • Wan, Honghe; Schroeder, Gretchen M.; Hart, Amy C.; Inghrim, Jennifer; Grebinski, James et al. (2015). Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. ACS Medicinal Chemistry Letters 6(8) , 850-855. 10.1021/acsmedchemlett.5b00226. [PDB: 5cf8]
  • White, E. Railey; Sun, Luxin; Ma, Zhong; Beckta, Jason M.; Danzig, Brittany A. et al. (2015). Peptide Library Approach to Uncover Phosphomimetic Inhibitors of the BRCA1 C-Terminal Domain. ACS Chemical Biology 10(5) , 1198-1208. 10.1021/cb500757u. [PDB: 4ofb]
  • Yuchi, Zhiguang; Yuen, Siobhan M. Wong King; Lau, Kelvin; Underhill, Ainsley Q.; Cornea, Razvan L. et al. (2015). Crystal structures of ryanodine receptor SPRY1 and tandem-repeat domains reveal a critical FKBP12 binding determinant. Nature Communications 6(1) . 10.1038/ncomms8947.
  • Zhang, Qi; Fan, Lixin; Hou, Feng; Dong, Aiping; Wang, Yun-Xing et al. (2015). New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins. Scientific Reports 5(1) . 10.1038/srep15660. [PDB: 4z30]

2014

  • Bacik, John-Paul; Tavassoli, Marjan; Patel, Trushar R.; McKenna, Sean A.; Vocadlo, David J. et al. (2014). Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle. Journal of Biological Chemistry 289(7) , 4504-4514. 10.1074/jbc.m113.521633. [PDB: 4mo4, 4mo5]
  • Bertwistle, Drew; Vogt, Linda; Aamudalapalli, Hari Babu; Palmer, David R. J.; Sanders, David A. R. et al. (2014). Purification, crystallization and room-temperature X-ray diffraction of inositol dehydrogenase LcIDH2 fromLactobacillus caseiBL23. Acta Crystallographica Section F Structural Biology and Crystallization Communications 70(7) , 979-983. 10.1107/s2053230x14011595.
  • Blattner, Claudia; Lee, Jeong Hyun; Sliepen, Kwinten; Derking, Ronald; Falkowska, Emilia et al. (2014). Structural Delineation of a Quaternary, Cleavage-Dependent Epitope at the gp41-gp120 Interface on Intact HIV-1 Env Trimers. Immunity 40(5) , 669-680. 10.1016/j.immuni.2014.04.008. [PDB: 4nug]
  • Chamberlain, Philip P; Lopez-Girona, Antonia; Miller, Karen; Carmel, Gilles; Pagarigan, Barbra et al. (2014). Structure of the human Cereblon–DDB1–lenalidomide complex reveals basis for responsiveness to thalidomide analogs. Nature Structural and Molecular Biology 21(9) , 803-809. 10.1038/nsmb.2874.
  • Conly, Cuylar J. T.; Skovpen, Yulia V.; Li, Shuo; Palmer, David R. J.; Sanders, David A. R. et al. (2014). Tyrosine 110 Plays a Critical Role in Regulating the Allosteric Inhibition of Campylobacter jejuni Dihydrodipicolinate Synthase by Lysine. Biochemistry 53(47) , 7396-7406. 10.1021/bi5012157. [PDB: 4ly8, 4m19, 4mlj, 4mlr, 4r53]
  • De Schutter, Joris W.; Park, Jaeok; Leung, Chun Yuen; Gormley, Patrick; Lin, Yih-Shyan et al. (2014). Multistage Screening Reveals Chameleon Ligands of the Human Farnesyl Pyrophosphate Synthase: Implications to Drug Discovery for Neurodegenerative Diseases. Journal of Medicinal Chemistry 57(13) , 5764-5776. 10.1021/jm500629e. [PDB: 4lpg, 4lph]
  • Duan, James J.-W.; Lu, Zhonghui; Jiang, Bin; Yang, Bingwei V.; Doweyko, Lidia M. et al. (2014). Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Bioorganic and Medicinal Chemistry Letters 24(24) , 5721-5726. 10.1016/j.bmcl.2014.10.061. [PDB: 4rio]
  • Elliott, J.Michael; Ultsch, Mark; Lee, Joshua; Tong, Raymond; Takeda, Kentaro et al. (2014). Antiparallel Conformation of Knob and Hole Aglycosylated Half-Antibody Homodimers Is Mediated by a CH2–CH3 Hydrophobic Interaction. Journal of Molecular Biology 426(9) , 1947-1957. 10.1016/j.jmb.2014.02.015. [PDB: 4nqt]
  • Gobeil, Sophie M.C.; Clouthier, Christopher M.; Park, Jaeok; Gagné, Donald; Berghuis, Albert M. et al. (2014). Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins. Chemistry & Biology 21(10) , 1330-1340. 10.1016/j.chembiol.2014.07.016. [PDB: 4id4]
  • Grishin, Andrey M.; Cherney, Maia; Anderson, Deborah H.; Phanse, Sadhna; Babu, Mohan et al. (2014). NleH Defines a New Family of Bacterial Effector Kinases. Structure 22(2) , 250-259. 10.1016/j.str.2013.11.006. [PDB: 4lrj, 4lrk]
  • Grishin, Andrey M.; Condos, Tara E.C.; Barber, Kathryn R.; Campbell-Valois, François-Xavier; Parsot, Claude et al. (2014). Structural Basis for the Inhibition of Host Protein Ubiquitination by Shigella Effector Kinase OspG. Structure 22(6) , 878-888. 10.1016/j.str.2014.04.010. [PDB: 4q5e, 4q5h]
  • Gruninger, Robert J.; Thibault, John; Capeness, Michael J.; Till, Robert; Mosimann, Steven C. et al. (2014). Structural and Biochemical Analysis of a Unique Phosphatase from Bdellovibrio bacteriovorus Reveals Its Structural and Functional Relationship with the Protein Tyrosine Phosphatase Class of Phytase. PLoS ONE 9(4) , e94403. 10.1371/journal.pone.0094403. [PDB: 4nx8]
  • Haji-Ghassemi, Omid; Müller-Loennies, Sven; Saldova, Radka; Muniyappa, Mohankumar; Brade, Lore et al. (2014). Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan. Journal of Biological Chemistry 289(24) , 16644-16661. 10.1074/jbc.m113.528224. [PDB: 4m7j, 4m7z, 4m93, 4ma1]
  • Hehemann, Jan-Hendrik; Law, Adrienne; Redecke, Lars; Boraston, Alisdair B. (2014). The Structure of RdDddP from Roseobacter denitrificans Reveals That DMSP Lyases in the DddP-Family Are Metalloenzymes. PLoS ONE 9(7) , e103128. 10.1371/journal.pone.0103128. [PDB: 4b28]
  • Huh, Ian; Gene, Robert; Kumaran, Jyothi; MacKenzie, C. Roger; Brooks, Cory L. et al. (2014). In situproteolysis, crystallization and preliminary X-ray diffraction analysis of a VHH that binds listeria internalin B. Acta Crystallographica Section F:Structural Biology Communications 70(11) , 1532-1535. 10.1107/s2053230x1402010x.
  • Jacobson, Jared M.; Yin, Jiang; Kitov, Pavel I.; Mulvey, George; Griener, Tom P. et al. (2014). The Crystal Structure of Shiga Toxin Type 2 with Bound Disaccharide Guides the Design of a Heterobifunctional Toxin Inhibitor. Journal of Biological Chemistry 289(2) , 885-894. 10.1074/jbc.m113.518886. [PDB: 4m1u]
  • Johnson, Ted W.; Richardson, Paul F.; Bailey, Simon; Brooun, Alexei; Burke, Benjamin J. et al. (2014). Discovery of (10R)-7-Amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a Macrocyclic Inhibitor of Anaplastic Lymphoma Kinase (ALK) and c-ros Oncogene 1 (ROS1) with Preclinical Brain Exposure and Broad-Spectrum Potency against ALK-Resistant Mutations. Journal of Medicinal Chemistry 57(11) , 4720-4744. 10.1021/jm500261q. [PDB: 4ctb]
  • Kalynych, Sergei; Cherney, Maia; Bostina, Mihnea; Rouiller, Isabelle; Cygler, Miroslaw et al. (2014). Quaternary structure of WzzB and WzzE polysaccharide copolymerases. Protein Science 24(1) , 58-69. 10.1002/pro.2586.
  • Keeling, Thomas J.; Samborska, Bożena; Demers, Ryan W.; Kimber, Matthew S. (2014). Interactions and structural variability of β-carboxysomal shell protein CcmL. Photosynthesis Research 121(2-3) , 125-133. 10.1007/s11120-014-9973-z. [PDB: 4n8f, 4n8x]
  • Keszei, Alexander F. A.; Tang, Xiaojing; McCormick, Craig; Zeqiraj, Elton; Rohde, John R. et al. (2014). Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase. Molecular and Cellular Biology 34(3) , 362-373. 10.1128/mcb.01360-13. [PDB: 4nkg]
  • Kiefer, Susan E.; Chang, ChiehYing J.; Kimura, S. Roy; Gao, Mian; Xie, Dianlin et al. (2014). The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallographica Section F Structural Biology and Crystallization Communications 70(2) , 173-181. 10.1107/s2053230x14000144. [PDB: 4nfm]
  • Lau, Kelvin; Van Petegem, Filip (2014). Crystal structures of wild type and disease mutant forms of the ryanodine receptor SPRY2 domain. Nature Communications 5(1) . 10.1038/ncomms6397. [PDB: 4p9i]
  • Lee, Jaeyong; Taneva, Svetla G.; Holland, Bryan W.; Tieleman, D. Peter; Cornell, Rosemary B. et al. (2014). Structural Basis for Autoinhibition of CTP:Phosphocholine Cytidylyltransferase (CCT), the Regulatory Enzyme in Phosphatidylcholine Synthesis, by Its Membrane-binding Amphipathic Helix. Journal of Biological Chemistry 289(3) , 1742-1755. 10.1074/jbc.m113.526970. [PDB: 4mvc, 4mvd]
  • Leung, Kevin K. K.; Shilton, Brian H. (2014). Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT. Biochemistry 54(1) , 47-59. 10.1021/bi500959t. [PDB: 4u7h]
  • Lewis, Steven M; Wu, Xiufeng; Pustilnik, Anna; Sereno, Arlene; Huang, Flora et al. (2014). Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface. Nature Biotechnology 32(2) , 191-198. 10.1038/nbt.2797. [PDB: 4lld]
  • Little, Dustin J.; Li, Grace; Ing, Christopher; DiFrancesco, Benjamin R.; Bamford, Natalie C. et al. (2014). Modification and periplasmic translocation of the biofilm exopolysaccharide poly-β-1,6- N -acetyl- d -glucosamine. Proceedings of the National Academy of Sciences of the United States of America 111(30) , 11013-11018. 10.1073/pnas.1406388111. [PDB: 4p7q, 4p7r]
  • Loewen, Peter C.; Carpena, Xavi; Vidossich, Pietro; Fita, Ignacio; Rovira, Carme et al. (2014). An Ionizable Active-Site Tryptophan Imparts Catalase Activity to a Peroxidase Core. Journal of the American Chemical Society 136(20) , 7249-7252. 10.1021/ja502794e. [PDB: 5syh, 5syk]
  • Oh, Angela; Ho, Yen-Ching; Zak, Mark; Liu, Yongbo; Chen, Xukun et al. (2014). Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase. ChemBioChem 15(8) , 1121-1130. 10.1002/cbic.201402023. [PDB: 4o0z, 4o10]
  • Parker, Matthew J; Gomery, Kathryn; Richard, Gabrielle; MacKenzie, C Roger; Cox, Andrew D et al. (2014). Structural basis for selective cross-reactivity in a bactericidal antibody against inner core lipooligosaccharide from Neisseria meningitidis†,‡. Glycobiology 24(5) , 442-449. 10.1093/glycob/cwu009. [PDB: 4c83, 4rqx]
  • Park, Jaeok; Lin, Yih-Shyan; Tsantrizos, Youla S.; Berghuis, Albert M. (2014). Structure of human farnesyl pyrophosphate synthase in complex with an aminopyridine bisphosphonate and two molecules of inorganic phosphate. Acta Crystallographica Section F Structural Biology and Crystallization Communications 70(3) , 299-304. 10.1107/s2053230x14002106. [PDB: 4lfv]
  • Recht, Michael I.; Sridhar, Vandana; Badger, John; Bounaud, Pierre-Yves; Logan, Cheyenne et al. (2014). Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. Journal of Biomolecular Screening 19(4) , 497-507. 10.1177/1087057113516493. [PDB: 4mrw, 4mrz, 4ms0, 4msa, 4msc, 4mse]
  • René, Olivier; Fauber, Benjamin P.; Boenig, Gladys de Leon; Burton, Brenda; Eidenschenk, Céline et al. (2014). Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. ACS Medicinal Chemistry Letters 6(3) , 276-281. 10.1021/ml500420y. [PDB: 4wqp]
  • Roach, Elyse J.; Kimber, Matthew S.; Khursigara, Cezar M. (2014). Crystal Structure and Site-directed Mutational Analysis Reveals Key Residues Involved in Escherichia coli ZapA Function. Journal of Biological Chemistry 289(34) , 23276-23286. 10.1074/jbc.m114.561928. [PDB: 4p1m]
  • Singh, Anirudh K.; Pluvinage, Benjamin; Higgins, Melanie A.; Dalia, Ankur B.; Woodiga, Shireen A. et al. (2014). Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus pneumoniae β-galactosidase, BgaA. PLoS Pathogens 10(9) , e1004364. 10.1371/journal.ppat.1004364. [PDB: 4cu9, 4cua, 4cub, 4cuc]
  • Tempel, Wolfram; Grabovec, Irina; MacKenzie, Farrell; Dichenko, Yaroslav V.; Usanov, Sergey A. et al. (2014). Structural characterization of human cholesterol 7α-hydroxylase. Journal of Lipid Research 55(9) , 1925-1932. 10.1194/jlr.m050765.
  • Thi, Nhung Nguyen; Offen, Wendy A.; Shareck, François; Davies, Gideon J.; Doucet, Nicolas et al. (2014). Structure and Activity of the Streptomyces coelicolor A3(2) β-N-Acetylhexosaminidase Provides Further Insight into GH20 Family Catalysis and Inhibition. Biochemistry 53(11) , 1789-1800. 10.1021/bi401697j. [PDB: 4c7f]
  • Tonkin, Michelle L.; Beck, Josh R.; Bradley, Peter J.; Boulanger, Martin J. (2014). The Inner Membrane Complex Sub-compartment Proteins Critical for Replication of the Apicomplexan Parasite Toxoplasma gondii Adopt a Pleckstrin Homology Fold. Journal of Biological Chemistry 289(20) , 13962-13973. 10.1074/jbc.m114.548891.
  • Vidossich, Pietro; Loewen, Peter C.; Carpena, Xavi; Fiorin, Giacomo; Fita, Ignacio et al. (2014). Binding of the Antitubercular Pro-Drug Isoniazid in the Heme Access Channel of Catalase-Peroxidase (KatG). A Combined Structural and Metadynamics Investigation. Journal of Physical Chemistry B 118(11) , 2924-2931. 10.1021/jp4123425. [PDB: 5syi]
  • Wyrzucki, Arkadiusz; Dreyfus, Cyrille; Kohler, Ines; Steck, Marco; Wilson, Ian A. et al. (2014). Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a V H 3-30-Encoded Heterosubtypic Antibody. Journal of Virology 88(12) , 7083-7092. 10.1128/jvi.00178-14. [PDB: 4py8]
  • Yachnin, Brahm J.; McEvoy, Michelle B.; MacCuish, Roderick J. D.; Morley, Krista L.; Lau, Peter C. K. et al. (2014). Lactone-Bound Structures of Cyclohexanone Monooxygenase Provide Insight into the Stereochemistry of Catalysis. ACS Chemical Biology 9(12) , 2843-2851. 10.1021/cb500442e. [PDB: 4rg3]
  • Yao, Deqiang; Cherney, Maia; Cygler, Miroslaw (2014). Structure of the N-terminal domain of the effector protein LegC3 fromLegionella pneumophila. Acta Crystallographica Section D Biological Crystallography 70(2) , 436-441. 10.1107/s139900471302991x. [PDB: 4mu6]
  • Yao, Deqiang; Zhang, Tao; He, Yao; Han, Pu; Cherney, Maia et al. (2014). A case study on the treatment of protein SIRAS data. Acta Crystallographica Section D Biological Crystallography 70(10) , 2686-2691. 10.1107/s1399004714017271.
  • Zamyatkin, Dmitry; Rao, Chandni; Hoffarth, Elesha; Jurca, Gabriela; Rho, Hayeong et al. (2014). Structure of a backtracked state reveals conformational changes similar to the state following nucleotide incorporation in human norovirus polymerase. Acta Crystallographica Section D Biological Crystallography 70(12) , 3099-3109. 10.1107/s1399004714021518. [PDB: 4qpx]
  • Zheng, Xiaozhang; Baumeister, Timm; Buckmelter, Alexandre J.; Caligiuri, Maureen; Clodfelter, Karl H. et al. (2014). Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorganic and Medicinal Chemistry Letters 24(1) , 337-343. 10.1016/j.bmcl.2013.11.006. [PDB: 4lww]

2013

  • Abbas, Yazan M.; Pichlmair, Andreas; Górna, Maria W.; Superti-Furga, Giulio; Nagar, Bhushan et al. (2013). Structural basis for viral 5′-PPP-RNA recognition by human IFIT proteins. Nature 494(7435) , 60-64. 10.1038/nature11783. [PDB: 4hoq, 4hou]
  • Amador, Fernando J.; Kimlicka, Lynn; Stathopulos, Peter B.; Gasmi-Seabrook, Geneviève M.C.; MacLennan, David H. et al. (2013). Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic α-Helix That Transitions to a β-Strand in a Mutant Linked with a Heritable Cardiomyopathy. Journal of Molecular Biology 425(21) , 4034-4046. 10.1016/j.jmb.2013.08.015. [PDB: 4kei, 4kej, 4kek]
  • Awad, Mark M.; Katayama, Ryohei; McTigue, Michele; Liu, Wei; Deng, Ya-Li et al. (2013). Acquired Resistance to Crizotinib from a Mutation in CD74–ROS1. New England Journal of Medicine 368(25) , 2395-2401. 10.1056/nejmoa1215530. [PDB: 3zbf]
  • Aydin, Halil; Smrke, Brianna M.; Lee, Jeffrey E. (2013). Structural characterization of a fusion glycoprotein from a retrovirus that undergoes a hybrid 2‐step entry mechanism. FASEB Journal 27(12) , 5059-5071. 10.1096/fj.13-232371. [PDB: 5h9c]
  • Barrette-Ng, Isabelle H.; Wu, Sau-Ching; Tjia, Wai-Mui; Wong, Sui-Lam; Ng, Kenneth K. S. et al. (2013). The structure of the SBP-Tag–streptavidin complex reveals a novel helical scaffold bridging binding pockets on separate subunits. Acta Crystallographica Section D Biological Crystallography 69(5) , 879-887. 10.1107/s0907444913002576.
  • Bergeron, Julien R. C.; Worrall, Liam J.; Sgourakis, Nikolaos G.; DiMaio, Frank; Pfuetzner, Richard A. et al. (2013). A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly. PLoS Pathogens 9(4) , e1003307. 10.1371/journal.ppat.1003307. [PDB: 4g08, 4g1i, 4g2s]
  • Bie, Haiying; Yin, Jiang; He, Xu; Kermode, Allison R; Goddard-Borger, Ethan D et al. (2013). Insights into mucopolysaccharidosis I from the structure and action of α-L-iduronidase. Nature Chemical Biology 9(11) , 739-745. 10.1038/nchembio.1357. [PDB: 4mj2, 4mj4]
  • Carere, Jason; McKenna, Sarah E.; Kimber, Matthew S.; Seah, Stephen Y. K. (2013). Characterization of an Aldolase–Dehydrogenase Complex from the Cholesterol Degradation Pathway of Mycobacterium tuberculosis. Biochemistry 52(20) , 3502-3511. 10.1021/bi400351h. [PDB: 4jn6]
  • Chung, Ivy Yeuk Wah; Paetzel, Mark (2013). Crystal Structures of Yellowtail Ascites Virus VP4 Protease. Journal of Biological Chemistry 288(18) , 13068-13081. 10.1074/jbc.m112.386953. [PDB: 4izk]
  • Dalrymple, Sean A.; Ko, John; Sheoran, Inder; Kaminskyj, Susan G. W.; Sanders, David A. R. et al. (2013). Elucidation of Substrate Specificity in Aspergillus nidulans UDP-Galactose-4-Epimerase. PLoS ONE 8(10) , e76803. 10.1371/journal.pone.0076803. [PDB: 4lis]
  • Du, Liqin; Luo, Yu (2013). Structure of a filament of stacked octamers of human DMC1 recombinase. Acta Crystallographica Section F Structural Biology and Crystallization Communications 69(4) , 382-386. 10.1107/s1744309113005678. [PDB: 4hyy]
  • Ernst, Andreas; Avvakumov, George; Tong, Jiefei; Fan, Yihui; Zhao, Yanling et al. (2013). A Strategy for Modulation of Enzymes in the Ubiquitin System. Science 339(6119) , 590-595. 10.1126/science.1230161. [PDB: 3n3k]
  • Ghosh, Kaushik; Mazumder Tagore, Debarati; Anumula, Rushith; Lakshmaiah, Basanth; Kumar, P.P.B.S. et al. (2013). Crystal structure of rat intestinal alkaline phosphatase – Role of crown domain in mammalian alkaline phosphatases. Journal of Structural Biology 184(2) , 182-192. 10.1016/j.jsb.2013.09.017. [PDB: 4kjg]
  • Gonzalez-Lopez de Turiso, Felix; Sun, Daqing; Rew, Yosup; Bartberger, Michael D.; Beck, Hilary P. et al. (2013). Rational Design and Binding Mode Duality of MDM2–p53 Inhibitors. Journal of Medicinal Chemistry 56(10) , 4053-4070. 10.1021/jm400293z. [PDB: 4jwr]
  • Grishin, Andrey M.; Ajamian, Eunice; Tao, Limei; Bostina, Mihnea; Zhang, Linhua et al. (2013). Family of phenylacetyl-CoA monooxygenases differs in subunit organization from other monooxygenases. Journal of Structural Biology 184(2) , 147-154. 10.1016/j.jsb.2013.09.012. [PDB: 4iit]
  • Guo, Chuangxing; Linton, Angelica; Jalaie, Mehran; Kephart, Susan; Ornelas, Martha et al. (2013). Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators. Bioorganic and Medicinal Chemistry Letters 23(11) , 3358-3363. 10.1016/j.bmcl.2013.03.090. [PDB: 4jpg]
  • Hong, Minsun; Lee, Peter S.; Hoffman, Ryan M. B.; Zhu, Xueyong; Krause, Jens C. et al. (2013). Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site. Journal of Virology 87(22) , 12471-12480. 10.1128/jvi.01388-13. [PDB: 4m5z]
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  • Hou, Jinzhao; Townson, Sharon A.; Kovalchin, Joseph T.; Masci, Allyson; Kiner, Olga et al. (2013). Design of a superior cytokine antagonist for topical ophthalmic use. Proceedings of the National Academy of Sciences of the United States of America 110(10) , 3913-3918. 10.1073/pnas.1217996110. [PDB: 4gaf, 4gai]
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  • Martynowski, Dariusz; Grochulski, Pawel; Howard, Peter S. (2013). Structure of a periplasmic domain of the EpsAB fusion protein of theVibrio vulnificustype II secretion system. Acta Crystallographica Section D Biological Crystallography 69(2) , 142-149. 10.1107/s0907444912042710. [PDB: 4g54]
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  • Nakamura, Gerald; Chai, Ning; Park, Summer; Chiang, Nancy; Lin, Zhonghua et al. (2013). An In Vivo Human-Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Influenza A Antibodies. Cell Host and Microbe 14(1) , 93-103. 10.1016/j.chom.2013.06.004. [PDB: 4kvn]
  • Pantua, Homer; Diao, Jingyu; Ultsch, Mark; Hazen, Meredith; Mathieu, Mary et al. (2013). Glycan Shifting on Hepatitis C Virus (HCV) E2 Glycoprotein Is a Mechanism for Escape from Broadly Neutralizing Antibodies. Journal of Molecular Biology 425(11) , 1899-1914. 10.1016/j.jmb.2013.02.025. [PDB: 4hs6]
  • Pluvinage, Benjamin; Hehemann, Jan-Hendrik; Boraston, Alisdair B. (2013). Substrate Recognition and Hydrolysis by a Family 50 exo-β-Agarase, Aga50D, from the Marine Bacterium Saccharophagus degradans. Journal of Biological Chemistry 288(39) , 28078-28088. 10.1074/jbc.m113.491068. [PDB: 4bq4, 4bq5]
  • Poulin, Myles B.; Shi, Yun; Protsko, Carla; Dalrymple, Sean A.; Sanders, David A. R. et al. (2013). Specificity of a UDP-GalNAc Pyranose-Furanose Mutase: A Potential Therapeutic Target forCampylobacter jejuniInfections. ChemBioChem 15(1) , 47-56. 10.1002/cbic.201300653. [PDB: 4mo2]
  • Saer, Rafael G.; Hardjasa, Amelia; Rosell, Federico I.; Mauk, A. Grant; Murphy, Michael E. P. et al. (2013). Role of Rhodobacter sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of HA and BA Cofactors. Biochemistry 52(13) , 2206-2217. 10.1021/bi400207m. [PDB: 4in5]
  • Safaee, Nozhat; Noronha, Anne M.; Rodionov, Dmitry; Kozlov, Guennadi; Wilds, Christopher J. et al. (2013). Structure of the Parallel Duplex of Poly(A) RNA: Evaluation of a 50 Year-Old Prediction. Angewandte Chemie - International Edition 52(39) , 10370-10373. 10.1002/anie.201303461. [PDB: 4jrd]
  • Schellenberg, Matthew J; Wu, Tao; Ritchie, Dustin B; Fica, Sebastian; Staley, Jonathan P et al. (2013). A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nature Structural and Molecular Biology 20(6) , 728-734. 10.1038/nsmb.2556. [PDB: 4jk7, 4jk8, 4jk9, 4jka, 4jkb, 4jkc, 4jkh]
  • Schmidt, Michael M.; Townson, Sharon A.; Andreucci, Amy J.; King, Bracken M.; Schirmer, Emily B. et al. (2013). Crystal Structure of an HSA/FcRn Complex Reveals Recycling by Competitive Mimicry of HSA Ligands at a pH-Dependent Hydrophobic Interface. Structure 21(11) , 1966-1978. 10.1016/j.str.2013.08.022. [PDB: 4k71]
  • Shala, Agnesa; Patel, Kevin H.; Golemi-Kotra, Dasantila; Audette, Gerald F. (2013). Expression, purification, crystallization and preliminary X-ray analysis of the receiver domain ofStaphylococcus aureusLytR protein. Acta Crystallographica Section F Structural Biology and Crystallization Communications 69(12) , 1418-1421. 10.1107/s1744309113030972.
  • Strushkevich, Natallia; Gilep, Andrei A.; Shen, Limin; Arrowsmith, Cheryl H.; Edwards, Aled M. et al. (2013). Structural Insights into Aldosterone Synthase Substrate Specificity and Targeted Inhibition. Molecular Endocrinology 27(2) , 315-324. 10.1210/me.2012-1287. [PDB: 4dvq]
  • Stubbs, Keith A.; Bacik, John‐Paul; Perley‐Robertson, G. Evan; Whitworth, Garrett E.; Gloster, Tracey M. et al. (2013). The Development of Selective Inhibitors of NagZ: Increased Susceptibility of Gram‐Negative Bacteria to β‐Lactams. ChemBioChem 14(15) , 1973-1981. 10.1002/cbic.201300395. [PDB: 4hzm]
  • Suits, Michael D.; Boraston, Alisdair B. (2013). Structure of the Streptococcus pneumoniae Surface Protein and Adhesin PfbA. PLoS ONE 8(7) , e67190. 10.1371/journal.pone.0067190. [PDB: 3zpp]
  • Sweeting, Braden; Brown, Eric; Khan, M. Qasim; Chakrabartty, Avijit; Pai, Emil F. et al. (2013). N-Terminal Helix-Cap in α-Helix 2 Modulates β-State Misfolding in Rabbit and Hamster Prion Proteins. PLoS ONE 8(5) , e63047. 10.1371/journal.pone.0063047. [PDB: 4hls, 4hmm, 4hmr]
  • Tchigvintsev, Anatoli; Tchigvintsev, Dmitri; Flick, Robert; Popovic, Ana; Dong, Aiping et al. (2013). Biochemical and Structural Studies of Conserved Maf Proteins Revealed Nucleotide Pyrophosphatases with a Preference for Modified Nucleotides. Chemistry & Biology 20(11) , 1386-1398. 10.1016/j.chembiol.2013.09.011. [PDB: 4heb]
  • Trempe, Jean-François; Sauvé, Véronique; Grenier, Karl; Seirafi, Marjan; Tang, Matthew Y. et al. (2013). Structure of Parkin Reveals Mechanisms for Ubiquitin Ligase Activation. Science 340(6139) , 1451-1455. 10.1126/science.1237908. [PDB: 4k7d]
  • van Kasteren, Puck B.; Bailey-Elkin, Ben A.; James, Terrence W.; Ninaber, Dennis K.; Beugeling, Corrine et al. (2013). Deubiquitinase function of arterivirus papain-like protease 2 suppresses the innate immune response in infected host cells. Proceedings of the National Academy of Sciences of the United States of America 110(9) , E838-E847. 10.1073/pnas.1218464110. [PDB: 4ium]
  • van Straaten, Karin E.; Ko, Jong Bum; Jagdhane, Rajendra; Anjum, Shazia; Palmer, David R.J. et al. (2013). The Structure of NtdA, a Sugar Aminotransferase Involved in the Kanosamine Biosynthetic Pathway in Bacillus subtilis, Reveals a New Subclass of Aminotransferases. Journal of Biological Chemistry 288(47) , 34121-34130. 10.1074/jbc.m113.500637. [PDB: 4k2b, 4k2i, 4k2m]
  • Vinaik, Roohi; Kozlov, Guennadi; Gehring, Kalle (2013). Structure of the Non-Catalytic Domain of the Protein Disulfide Isomerase-Related Protein (PDIR) Reveals Function in Protein Binding. PLoS ONE 8(4) , e62021. 10.1371/journal.pone.0062021.
  • Wu, Hong; Siarheyeva, Alena; Zeng, Hong; Lam, Robert; Dong, Aiping et al. (2013). Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2. FEBS Letters 587(23) , 3859-3868. 10.1016/j.febslet.2013.10.020. [PDB: 3s8p]
  • Wu, Hong; Zeng, Hong; Dong, Aiping; Li, Fengling; He, Hao et al. (2013). Structure of the Catalytic Domain of EZH2 Reveals Conformational Plasticity in Cofactor and Substrate Binding Sites and Explains Oncogenic Mutations. PLoS ONE 8(12) , e83737. 10.1371/journal.pone.0083737. [PDB: 4mi0]
  • Zhang, Xiaolu Linda; Tibbits, Glen F.; Paetzel, Mark (2013). The structure of cardiac troponin C regulatory domain with bound Cd2+reveals a closed conformation and unique ion coordination. Acta Crystallographica Section D Biological Crystallography 69(5) , 722-734. 10.1107/s0907444913001182. [PDB: 3sd6, 4gje, 4gjf, 4gjg]
  • Zheng, Hongyan; Bertwistle, Drew; Sanders, David A. R.; Palmer, David R. J. (2013). Converting NAD-Specific Inositol Dehydrogenase to an Efficient NADP-Selective Catalyst, with a Surprising Twist. Biochemistry 52(34) , 5876-5883. 10.1021/bi400821s. [PDB: 4l8v, 4l9r]
  • Zheng, Xiaozhang; Bair, Kenneth W.; Bauer, Paul; Baumeister, Timm; Bowman, Krista K. et al. (2013). Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorganic and Medicinal Chemistry Letters 23(20) , 5488-5497. 10.1016/j.bmcl.2013.08.074. [PDB: 4lva]
  • Zhu, Xueyong; Yu, Wenli; McBride, Ryan; Li, Yan; Chen, Li-Mei et al. (2013). Hemagglutinin homologue from H17N10 bat influenza virus exhibits divergent receptor-binding and pH-dependent fusion activities. Proceedings of the National Academy of Sciences of the United States of America 110(4) , 1458-1463. 10.1073/pnas.1218509110. [PDB: 4i78]

2012

  • Adams-Cioaba, Melanie A.; Li, Zhihong; Tempel, Wolfram; Guo, Yahong; Bian, Chuanbing et al. (2012). Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins. FEBS Letters 586(6) , 859-865. 10.1016/j.febslet.2012.02.012. [PDB: 3qii]
  • Amunugama, Ravindra; He, Yujiong; Willcox, Smaranda; Forties, Robert A.; Shim, Kang-Sup et al. (2012). RAD51 Protein ATP Cap Regulates Nucleoprotein Filament Stability. Journal of Biological Chemistry 287(12) , 8724-8736. 10.1074/jbc.m111.239426. [PDB: 3ntu]
  • Azoitei, Mihai L.; Ban, Yih-En Andrew; Julien, Jean-Philippe; Bryson, Steve; Schroeter, Alexandria et al. (2012). Computational Design of High-Affinity Epitope Scaffolds by Backbone Grafting of a Linear Epitope. Journal of Molecular Biology 415(1) , 175-192. 10.1016/j.jmb.2011.10.003. [PDB: 3rhu]
  • Bacik, John-Paul; Whitworth, Garrett E.; Stubbs, Keith A.; Vocadlo, David J.; Mark, Brian L. et al. (2012). Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion. Chemistry & Biology 19(11) , 1471-1482. 10.1016/j.chembiol.2012.09.016. [PDB: 4gvf, 4gvg, 4gvh, 4gyj, 4gyk]
  • Baral, Pravas Kumar; Wieland, Barbara; Swayampakula, Mridula; Polymenidou, Magdalini; Rahman, Muhammad Hafiz et al. (2012). Structural studies on the folded domain of the human prion protein bound to the Fab fragment of the antibody POM1. Acta Crystallographica Section D Biological Crystallography 68(11) , 1501-1512. 10.1107/s0907444912037328. [PDB: 4dgi]
  • Burkinshaw, Brianne J.; Prehna, Gerd; Worrall, Liam J.; Strynadka, Natalie C.J. (2012). Structure of Salmonella Effector Protein SopB N-terminal Domain in Complex with Host Rho GTPase Cdc42. Journal of Biological Chemistry 287(16) , 13348-13355. 10.1074/jbc.m111.331330. [PDB: 4did]
  • Calmettes, Charles; Alcantara, Joenel; Yu, Rong-Hua; Schryvers, Anthony B; Moraes, Trevor F et al. (2012). The structural basis of transferrin sequestration by transferrin-binding protein B. Nature Structural and Molecular Biology 19(3) , 358-360. 10.1038/nsmb.2251.
  • Campbell, Stephen J.; Edwards, Ross A.; Leung, Charles C.Y.; Neculai, Dante; Hodge, Curtis D. et al. (2012). Molecular Insights into the Function of RING Finger (RNF)-containing Proteins hRNF8 and hRNF168 in Ubc13/Mms2-dependent Ubiquitylation. Journal of Biological Chemistry 287(28) , 23900-23910. 10.1074/jbc.m112.359653.
  • Cherney, Maia M.; Zhang, Yanfei; James, Michael N.G.; Weiner, Joel H. (2012). Structure–activity characterization of sulfide:quinone oxidoreductase variants. Journal of Structural Biology 178(3) , 319-328. 10.1016/j.jsb.2012.04.007. [PDB: 3sx6, 3sy4, 3syi, 3sz0, 3szc, 3szf, 3szw, 3t0k]
  • Chong, Pek; Sebahar, Paul; Youngman, Michael; Garrido, Dulce; Zhang, Huichang et al. (2012). Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. Journal of Medicinal Chemistry 55(23) , 10601-10609. 10.1021/jm301294g. [PDB: 2yni]
  • Epstein, Linda F.; Chen, Hao; Emkey, Renee; Whittington, Douglas A. (2012). The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase. Journal of Biological Chemistry 287(44) , 37447-37457. 10.1074/jbc.m112.391425. [PDB: 4fnz]
  • Fieldhouse, Robert J.; Jørgensen, René; Lugo, Miguel R.; Merrill, A. Rod (2012). The 1.8 Å Cholix Toxin Crystal Structure in Complex with NAD+ and Evidence for a New Kinetic Model. Journal of Biological Chemistry 287(25) , 21176-21188. 10.1074/jbc.m111.337311. [PDB: 3q9o]
  • Fodje, Michel; Janzen, Kathryn; Berg, Russ; Black, Gillian; Labiuk, Shaunivan et al. (2012). MxDCandMxLIVE: software for data acquisition, information management and remote access to macromolecular crystallography beamlines. Journal of Synchrotron Radiation 19(2) , 274-280. 10.1107/s0909049511056305.
  • Gomery, Kathryn; Müller-Loennies, Sven; Brooks, Cory L.; Brade, Lore; Kosma, Paul et al. (2012). Antibody WN1 222-5 mimics Toll-like receptor 4 binding in the recognition of LPS. Proceedings of the National Academy of Sciences of the United States of America 109(51) , 20877-20882. 10.1073/pnas.1209253109. [PDB: 3v0w]
  • Grishin, Andrey M.; Ajamian, Eunice; Zhang, Linhua; Rouiller, Isabelle; Bostina, Mihnea et al. (2012). Protein-Protein Interactions in the β-Oxidation Part of the Phenylacetate Utilization Pathway. Journal of Biological Chemistry 287(45) , 37986-37996. 10.1074/jbc.m112.388231. [PDB: 4fzw]
  • Grochulski, Pawel; Fodje, Michel; Labiuk, Shaunivan; Gorin, James; Janzen, Kathryn et al. (2012). Canadian macromolecular crystallography facility: a suite of fully automated beamlines. Journal of Structural and Functional Genomics 13(2) , 49-55. 10.1007/s10969-012-9123-9.
  • Hehemann, Jan-Hendrik; Kelly, Amelia G.; Pudlo, Nicholas A.; Martens, Eric C.; Boraston, Alisdair B. et al. (2012). Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes. Proceedings of the National Academy of Sciences of the United States of America 109(48) , 19786-19791. 10.1073/pnas.1211002109. [PDB: 4aw7]
  • Hehemann, Jan-Hendrik; Smyth, Leo; Yadav, Anuj; Vocadlo, David J.; Boraston, Alisdair B. et al. (2012). Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight into the Degradation (of a Polysaccharide from) Red Seaweeds. Journal of Biological Chemistry 287(17) , 13985-13995. 10.1074/jbc.m112.345645. [PDB: 4ak7]
  • Jha, Vikash; Chelikani, Prashen; Carpena, Xavi; Fita, Ignacio; Loewen, Peter C. et al. (2012). Influence of main channel structure on H2O2 access to the heme cavity of catalase KatE of Escherichia coli. Archives of Biochemistry and Biophysics 526(1) , 54-59. 10.1016/j.abb.2012.06.010. [PDB: 4enp, 4enr, 4ens, 4ent, 4enu, 4env, 4enw]
  • Jha, Vikash; Donald, Lynda J.; Loewen, Peter C. (2012). Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage. Archives of Biochemistry and Biophysics 525(2) , 207-214. 10.1016/j.abb.2011.11.022. [PDB: 3ttt, 3ttv, 3ttw, 3ttx]
  • Juang, Yu-Chi; Landry, Marie-Claude; Sanches, Mario; Vittal, Vinayak; Leung, Charles C.Y. et al. (2012). OTUB1 Co-opts Lys48-Linked Ubiquitin Recognition to Suppress E2 Enzyme Function. Molecular Cell 45(3) , 384-397. 10.1016/j.molcel.2012.01.011. [PDB: 4ddg]
  • Kalynych, Sergei; Yao, Deqiang; Magee, James; Cygler, Miroslaw (2012). Structural Characterization of Closely Related O-antigen Lipopolysaccharide (LPS) Chain Length Regulators. Journal of Biological Chemistry 287(19) , 15696-15705. 10.1074/jbc.m112.354837. [PDB: 4e2c, 4e2h, 4e2l]
  • King, Dustin T.; Worrall, Liam J.; Gruninger, Robert; Strynadka, Natalie C. J. (2012). New Delhi Metallo-β-Lactamase: Structural Insights into β-Lactam Recognition and Inhibition. Journal of the American Chemical Society 134(28) , 11362-11365. 10.1021/ja303579d. [PDB: 4exy, 4ey2, 4eyb, 4eyf, 4eyl]
  • Kolappan, Subramaniapillai; Tracy, Erin N.; Bakaletz, Lauren O.; Munson, Robert S.; Craig, Lisa et al. (2012). Expression, purification, crystallization and preliminary crystallographic analysis of PilA from the nontypeableHaemophilus influenzaetype IV pilus. Acta Crystallographica Section F Structural Biology and Crystallization Communications 68(3) , 284-287. 10.1107/s1744309111043910.
  • Leisch, Hannes; Shi, Rong; Grosse, Stephan; Morley, Krista; Bergeron, Hélène et al. (2012). Cloning, Baeyer-Villiger Biooxidations, and Structures of the Camphor Pathway 2-Oxo-Δ 3 -4,5,5-Trimethylcyclopentenylacetyl-Coenzyme A Monooxygenase of Pseudomonas putida ATCC 17453. Applied and Environmental Microbiology 78(7) , 2200-2212. 10.1128/aem.07694-11. [PDB: 3up4, 3up5]
  • Leung, Kevin Ka Ki; Litchfield, David W.; Shilton, Brian H. (2012). Flavin adenine dinucleotide content of quinone reductase 2: Analysis and optimization for structure–function studies. Analytical Biochemistry 420(1) , 84-89. 10.1016/j.ab.2011.09.011.
  • Lin, Yih-Shyan; Park, Jaeok; De Schutter, Joris W.; Huang, Xian Fang; Berghuis, Albert M. et al. (2012). Design and Synthesis of Active Site Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Apoptosis and Inhibition of ERK Phosphorylation in Multiple Myeloma Cells. Journal of Medicinal Chemistry 55(7) , 3201-3215. 10.1021/jm201657x. [PDB: 4dem]
  • Liu, Xiaohu; Chen, Min; Lobo, Paolo; An, Jianghong; Grace Cheng, S.W. et al. (2012). Molecular and structural characterization of the SH3 domain of AHI-1 in regulation of cellular resistance of BCR-ABL+chronic myeloid leukemia cells to tyrosine kinase inhibitors. Proteomics 12(13) , 2094-2106. 10.1002/pmic.201100553. [PDB: 4esr]
  • Loewen, Peter C.; Didychuk, Allison L.; Switala, Jacek; Perez-Luque, Rosa; Fita, Ignacio et al. (2012). Structure ofPisum sativumRubisco with bound ribulose 1,5-bisphosphate. Acta Crystallographica Section F Structural Biology and Crystallization Communications 69(1) , 10-14. 10.1107/s1744309112047549. [PDB: 4hhh, 4mkv]
  • MacFarlane, Ainsley A.; Orriss, George; Okun, Natalie; Meier, Markus; Klonisch, Thomas et al. (2012). The Pentameric Channel of COMPcc in Complex with Different Fatty Acids. PLoS ONE 7(11) , e48130. 10.1371/journal.pone.0048130. [PDB: 3v2n, 3v2p, 3v2q]
  • Norman, Mark H.; Andrews, Kristin L.; Bo, Yunxin Y.; Booker, Shon K.; Caenepeel, Sean et al. (2012). Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. Journal of Medicinal Chemistry 55(17) , 7796-7816. 10.1021/jm300846z. [PDB: 4flh]
  • O'Sullivan, Valerie J.; Barrette-Ng, Isabelle; Hommema, Eric; Hermanson, Greg T.; Schofield, Mark et al. (2012). Development of a Tetrameric Streptavidin Mutein with Reversible Biotin Binding Capability: Engineering a Mobile Loop as an Exit Door for Biotin. PLoS ONE 7(4) , e35203. 10.1371/journal.pone.0035203.
  • Pfoh, Roland; Li, Angela; Chakrabarti, Nilmadhab; Payandeh, Jian; Pomès, Régis et al. (2012). Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation. Proceedings of the National Academy of Sciences of the United States of America 109(46) , 18809-18814. 10.1073/pnas.1209018109. [PDB: 4eeb, 4eed]
  • Purohit, Meena K.; Poduch, Ewa; Wei, Lianhu William; Crandall, Ian Edward; To, Terrence et al. (2012). Novel Cytidine-Based Orotidine-5′-Monophosphate Decarboxylase Inhibitors with an Unusual Twist. Journal of Medicinal Chemistry 55(22) , 9988-9997. 10.1021/jm301176r. [PDB: 4hib]
  • Ratto, Marcelo H.; Leduc, Yvonne A.; Valderrama, Ximena P.; van Straaten, Karin E.; Delbaere, Louis T. J. et al. (2012). The nerve of ovulation-inducing factor in semen. Proceedings of the National Academy of Sciences of the United States of America 109(37) , 15042-15047. 10.1073/pnas.1206273109. [PDB: 4efv]
  • Safaee, Nozhat; Kozlov, Guennadi; Noronha, Anne M.; Xie, Jingwei; Wilds, Christopher J. et al. (2012). Interdomain Allostery Promotes Assembly of the Poly(A) mRNA Complex with PABP and eIF4G. Molecular Cell 48(3) , 375-386. 10.1016/j.molcel.2012.09.001. [PDB: 4f02]
  • Samborska, Bożena; Kimber, Matthew S. (2012). A Dodecameric CcmK2 Structure Suggests β-Carboxysomal Shell Facets Have a Double-Layered Organization. Structure 20(8) , 1353-1362. 10.1016/j.str.2012.05.013.
  • Sarhan, Maen F.; Tung, Ching-Chieh; Van Petegem, Filip; Ahern, Christopher A. (2012). Crystallographic basis for calcium regulation of sodium channels. Proceedings of the National Academy of Sciences of the United States of America 109(9) , 3558-3563. 10.1073/pnas.1114748109. [PDB: 4djc]
  • Schroeder, Gretchen M.; Wei, Donna; Banfi, Patrizia; Cai, Zhen-Wei; Lippy, Jonathan et al. (2012). Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists. Bioorganic and Medicinal Chemistry Letters 22(12) , 3951-3956. 10.1016/j.bmcl.2012.04.106. [PDB: 4ehr]
  • Shi, Rong; Munger, Christine; Kalan, Lindsay; Sulea, Traian; Wright, Gerard D. et al. (2012). Sulfonation of glycopeptide antibiotics by sulfotransferase StaL depends on conformational flexibility of aglycone scaffold. Proceedings of the National Academy of Sciences of the United States of America 109(29) , 11824-11829. 10.1073/pnas.1205377109.
  • Shniffer, Adin; Visschedyk, Danielle D.; Ravulapalli, Ravikiran; Suarez, Giovanni; Turgeon, Zachari J. et al. (2012). Characterization of an Actin-targeting ADP-ribosyltransferase from Aeromonas hydrophila. Journal of Biological Chemistry 287(44) , 37030-37041. 10.1074/jbc.m112.397612. [PDB: 4fml]
  • Siarheyeva, Alena; Senisterra, Guillermo; Allali-Hassani, Abdellah; Dong, Aiping; Dobrovetsky, Elena et al. (2012). An Allosteric Inhibitor of Protein Arginine Methyltransferase 3. Structure 20(8) , 1425-1435. 10.1016/j.str.2012.06.001. [PDB: 3smq]
  • Tonkin, Michelle L.; Crawford, Joanna; Lebrun, Maryse L.; Boulanger, Martin J. (2012). Babesia divergensandNeospora caninumapical membrane antigen 1 structures reveal selectivity and plasticity in apicomplexan parasite host cell invasion. Protein Science 22(1) , 114-127. 10.1002/pro.2193. [PDB: 4apl]
  • Ukpabi, Georgia; Takayama, Shin-ichi J.; Mauk, A.Grant; Murphy, Michael E.P. (2012). Inactivation of the Heme Degrading Enzyme IsdI by an Active Site Substitution That Diminishes Heme Ruffling. Journal of Biological Chemistry 287(41) , 34179-34188. 10.1074/jbc.m112.393249. [PDB: 4fnh]
  • van Straaten, Karin E.; Routier, Francoise H.; Sanders, David A. R. (2012). Towards the crystal structure elucidation of eukaryotic UDP-galactopyranose mutase. Acta Crystallographica Section F Structural Biology and Crystallization Communications 68(4) , 455-459. 10.1107/s1744309112006914.
  • van Straaten, Karin E.; Routier, Françoise H.; Sanders, David A.R. (2012). Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus. Journal of Biological Chemistry 287(14) , 10780-10790. 10.1074/jbc.m111.322974. [PDB: 3uka, 3ukf, 3ukh, 3ukk, 3ukl, 3ukp, 3ukq]
  • Visschedyk, Danielle; Rochon, Amanda; Tempel, Wolfram; Dimov, Svetoslav; Park, Hee-Won et al. (2012). Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus. Journal of Biological Chemistry 287(49) , 41089-41102. 10.1074/jbc.m112.412809. [PDB: 4fxq, 4gf1]
  • Wheatley, Robert W.; Zheng, Ruixiang Blake; Richards, Michele R.; Lowary, Todd L.; Ng, Kenneth K.S. et al. (2012). Tetrameric Structure of the GlfT2 Galactofuranosyltransferase Reveals a Scaffold for the Assembly of Mycobacterial Arabinogalactan. Journal of Biological Chemistry 287(33) , 28132-28143. 10.1074/jbc.m112.347484.
  • Wong, Alan H.M.; Zhou, Dongxia; Rini, James M. (2012). The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing. Journal of Biological Chemistry 287(44) , 36804-36813. 10.1074/jbc.m112.398842. [PDB: 4fyq, 4fyr, 4fys, 4fyt]
  • Xu, Yufei; Xu, Chao; Kato, Akiko; Tempel, Wolfram; Abreu, Jose Garcia et al. (2012). Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development. Cell 151(6) , 1200-1213. 10.1016/j.cell.2012.11.014. [PDB: 4hp1, 4hp3]
  • Yu, Angel C.Y.; Worrall, Liam J.; Strynadka, Natalie C.J. (2012). Structural Insight into the Bacterial Mucinase StcE Essential to Adhesion and Immune Evasion during Enterohemorrhagic E. coli Infection. Structure 20(4) , 707-717. 10.1016/j.str.2012.02.015. [PDB: 3ujz]
  • Yuchi, Zhiguang; Lau, Kelvin; Van Petegem, Filip (2012). Disease Mutations in the Ryanodine Receptor Central Region: Crystal Structures of a Phosphorylation Hot Spot Domain. Structure 20(7) , 1201-1211. 10.1016/j.str.2012.04.015. [PDB: 4ert, 4erv, 4etv]

2011

  • Axerio-Cilies, Peter; See, Raymond H; Zoraghi, Roya; Worral, Liam; Lian, Tian et al. (2011). Cheminformatics-Driven Discovery of Selective, Nanomolar Inhibitors for Staphylococcal Pyruvate Kinase. ACS Chemical Biology 7(2) , 350-359. 10.1021/cb2003576. [PDB: 3t0t]
  • Bacik, John-Paul; Whitworth, Garrett E.; Stubbs, Keith A.; Yadav, Anuj K.; Martin, Dylan R. et al. (2011). Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase. Journal of Biological Chemistry 286(14) , 12283-12291. 10.1074/jbc.m110.198317. [PDB: 3qbw, 3qbx]
  • Bains, Jasleen; Leon, Rafael; Temke, Kevin G.; Boulanger, Martin J. (2011). Elucidating the reaction mechanism of the benzoate oxidation pathway encoded aldehyde dehydrogenase fromBurkholderia xenovoransLB400. Protein Science 20(6) , 1048-1059. 10.1002/pro.639. [PDB: 2y51, 2y52, 2y53, 2y5d]
  • Baral, Pravas Kumar; Wieland, Barbara; Swayampakula, Mridula; Polymenidou, Magdalini; Aguzzi, Adriano et al. (2011). Crystallization and preliminary X-ray diffraction analysis of prion protein bound to the Fab fragment of the POM1 antibody. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(10) , 1211-1213. 10.1107/s1744309111026273.
  • Bourhis, Eric; Wang, Weiru; Tam, Christine; Hwang, Jiyoung; Zhang, Yingnan et al. (2011). Wnt Antagonists Bind through a Short Peptide to the First β-Propeller Domain of LRP5/6. Structure 19(10) , 1433-1442. 10.1016/j.str.2011.07.005. [PDB: 3sov]
  • Calmettes, Charles; Yu, Rong-hua; Silva, Leslie P.; Curran, Dave; Schriemer, David C. et al. (2011). Structural Variations within the Transferrin Binding Site on Transferrin-binding Protein B, TbpB. Journal of Biological Chemistry 286(14) , 12683-12692. 10.1074/jbc.m110.206102. [PDB: 3pqs, 3pqu]
  • Cappadocia, Laurent; Parent, Jean-Sébastien; Zampini, Éric; Lepage, Étienne; Sygusch, Jurgen et al. (2011). A conserved lysine residue of plant Whirly proteins is necessary for higher order protein assembly and protection against DNA damage. Nucleic Acids Research 40(1) , 258-269. 10.1093/nar/gkr740. [PDB: 3r9y]
  • Cherney, Maia M.; Cherney, Leonid T.; Garen, Craig R.; James, Michael N.G. (2011). The Structures of Thermoplasma volcanium Phosphoribosyl Pyrophosphate Synthetase Bound to Ribose-5-Phosphate and ATP Analogs. Journal of Molecular Biology 413(4) , 844-856. 10.1016/j.jmb.2011.09.007. [PDB: 3lpn, 3lrt, 3mbi, 3nag]
  • Chung, Ivy Yeuk Wah; Paetzel, Mark (2011). Crystal Structure of a Viral Protease Intramolecular Acyl-enzyme Complex. Journal of Biological Chemistry 286(14) , 12475-12482. 10.1074/jbc.m110.198812. [PDB: 3p06]
  • Coquelle, Nicolas; Green, Ruth; Glover, J. N. Mark (2011). Impact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide Recognition. Biochemistry 50(21) , 4579-4589. 10.1021/bi2003795. [PDB: 3pxa, 3pxb, 3pxd, 3pxe]
  • Coquelle, Nicolas; Havali-Shahriari, Zahra; Bernstein, Nina; Green, Ruth; Glover, J. N. Mark et al. (2011). Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates. Proceedings of the National Academy of Sciences of the United States of America 108(52) , 21022-21027. 10.1073/pnas.1112036108. [PDB: 3u7e, 3u7f]
  • Dalrymple, Sean A.; Sheoran, Inder; Kaminskyj, Susan G. W.; Sanders, David A. R. (2011). Preliminary X-ray crystallographic studies of UDP-glucose-4-epimerase fromAspergillus nidulans. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(8) , 885-887. 10.1107/s1744309111020914.
  • Edwards, Thomas E.; Leibly, David J.; Bhandari, Janhavi; Statnekov, Jacob B.; Phan, Isabelle et al. (2011). Structures of phosphopantetheine adenylyltransferase fromBurkholderia pseudomallei. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(9) , 1032-1037. 10.1107/s1744309111004349. [PDB: 3k9w]
  • Ficko-Blean, Elizabeth; Stuart, Christopher P.; Boraston, Alisdair B. (2011). Structural analysis of CPF_2247, a novel α-amylase from Clostridium perfringens. Proteins: Structure. Function and Bioinformatics 79(10) , 2771-2777. 10.1002/prot.23116. [PDB: 3ren]
  • Gregg, Katie J.; Zandberg, Wesley F.; Hehemann, Jan-Hendrik; Whitworth, Garrett E.; Deng, Lehua et al. (2011). Analysis of a New Family of Widely Distributed Metal-independent α-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans. Journal of Biological Chemistry 286(17) , 15586-15596. 10.1074/jbc.m111.223172. [PDB: 3qt9]
  • Grigg, Jason C.; Mao, Cherry X.; Murphy, Michael E.P. (2011). Iron-Coordinating Tyrosine Is a Key Determinant of NEAT Domain Heme Transfer. Journal of Molecular Biology 413(3) , 684-698. 10.1016/j.jmb.2011.08.047. [PDB: 3qzn, 3qzo, 3qzp]
  • Grishin, Andrey M.; Ajamian, Eunice; Tao, Limei; Zhang, Linhua; Menard, Robert et al. (2011). Structural and Functional Studies of the Escherichia coli Phenylacetyl-CoA Monooxygenase Complex. Journal of Biological Chemistry 286(12) , 10735-10743. 10.1074/jbc.m110.194423. [PDB: 3pvr, 3pvt, 3pvy, 3pw1, 3pw8, 3pwq]
  • Grochulski, Pawel; Fodje, Michel N.; Gorin, James; Labiuk, Shaunivan L.; Berg, Russ et al. (2011). Beamline 08ID-1, the prime beamline of the Canadian Macromolecular Crystallography Facility. Journal of Synchrotron Radiation 18(4) , 681-684. 10.1107/s0909049511019431.
  • Harikrishnan, Lalgudi S.; Kamau, Muthoni G.; Wan, Honghe; Inghrim, Jennifer A.; Zimmermann, Kurt et al. (2011). Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3. Bioorganic and Medicinal Chemistry Letters 21(5) , 1425-1428. 10.1016/j.bmcl.2011.01.022. [PDB: 3q32]
  • Herold, J. Martin; Wigle, Tim J.; Norris, Jacqueline L.; Lam, Robert; Korboukh, Victoria K. et al. (2011). Small-Molecule Ligands of Methyl-Lysine Binding Proteins. Journal of Medicinal Chemistry 54(7) , 2504-2511. 10.1021/jm200045v. [PDB: 3p8h]
  • Hewitt, Stephen N.; Choi, Ryan; Kelley, Angela; Crowther, Gregory J.; Napuli, Alberto J. et al. (2011). Expression of proteins inEscherichia colias fusions with maltose-binding protein to rescue non-expressed targets in a high-throughput protein-expression and purification pipeline. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(9) , 1006-1009. 10.1107/s1744309111022159. [PDB: 3u40]
  • He, Yang; Ning, Tingting; Xie, Tingting; Qiu, Qingchuan; Zhang, Liping et al. (2011). Large-scale production of functional human serum albumin from transgenic rice seeds. Proceedings of the National Academy of Sciences of the United States of America 108(47) , 19078-19083. 10.1073/pnas.1109736108. [PDB: 3sqj]
  • Higgins, Melanie A.; Ficko-Blean, Elizabeth; Meloncelli, Peter J.; Lowary, Todd L.; Boraston, Alisdair B. et al. (2011). The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate-Antigen-Hydrolyzing Enzymes. Journal of Molecular Biology 411(5) , 1017-1036. 10.1016/j.jmb.2011.06.035. [PDB: 2ygm]
  • Hough, Michael A.; Antonyuk, Svetlana V.; Barbieri, Sonia; Rustage, Neil; McKay, Alison L. et al. (2011). Distal-to-Proximal NO Conversion in Hemoproteins: The Role of the Proximal Pocket. Journal of Molecular Biology 405(2) , 395-409. 10.1016/j.jmb.2010.10.035. [PDB: 2xlo, 2xlw]
  • James, Terrence W.; Frias-Staheli, Natalia; Bacik, John-Paul; Levingston Macleod, Jesica M.; Khajehpour, Mazdak et al. (2011). Structural basis for the removal of ubiquitin and interferon-stimulated gene 15 by a viral ovarian tumor domain-containing protease. Proceedings of the National Academy of Sciences of the United States of America 108(6) , 2222-2227. 10.1073/pnas.1013388108. [PDB: 3pse, 3pt2]
  • Jha, Vikash; Louis, Sherif; Chelikani, Prashen; Carpena, Xavi; Donald, Lynda J. et al. (2011). Modulation of Heme Orientation and Binding by a Single Residue in Catalase HPII of Escherichia coli. Biochemistry 50(12) , 2101-2110. 10.1021/bi200027v. [PDB: 3p9p, 3p9q, 3p9r, 3p9s, 3pq2, 3pq3, 3pq4, 3pq5, 3pq6, 3pq7, 3pq8]
  • Kanjee, Usheer; Gutsche, Irina; Alexopoulos, Eftichia; Zhao, Boyu; El Bakkouri, Majida et al. (2011). Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase. EMBO Journal 30(5) , 931-944. 10.1038/emboj.2011.5. [PDB: 3q16]
  • Kaustov, Lilia; Ouyang, Hui; Amaya, Maria; Lemak, Alexander; Nady, Nataliya et al. (2011). Recognition and Specificity Determinants of the Human Cbx Chromodomains. Journal of Biological Chemistry 286(1) , 521-529. 10.1074/jbc.m110.191411. [PDB: 3h91, 3i91]
  • Kim, Kelly H.; Aulakh, Suraaj; Tan, Wendy; Paetzel, Mark (2011). Crystallographic analysis of the C-terminal domain of theEscherichia colilipoprotein BamC. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(11) , 1350-1358. 10.1107/s174430911103363x. [PDB: 3sns]
  • Kim, Kelly H.; Paetzel, Mark (2011). Crystal Structure of Escherichia coli BamB, a Lipoprotein Component of the β-Barrel Assembly Machinery Complex. Journal of Molecular Biology 406(5) , 667-678. 10.1016/j.jmb.2010.12.020. [PDB: 3p1l]
  • King, Dustin; Strynadka, Natalie (2011). Crystal structure of New Delhi metallo-β-lactamase reveals molecular basis for antibiotic resistance. Protein Science 20(9) , 1484-1491. 10.1002/pro.697. [PDB: 3spu]
  • Lee, Ho Jun; Lairson, Luke L.; Rich, Jamie R.; Lameignere, Emilie; Wakarchuk, Warren W. et al. (2011). Structural and Kinetic Analysis of Substrate Binding to the Sialyltransferase Cst-II from Campylobacter jejuni. Journal of Biological Chemistry 286(41) , 35922-35932. 10.1074/jbc.m111.261172. [PDB: 2x61]
  • Leung, Charles Chung Yun; Gong, Zihua; Chen, Junjie; Glover, J. N. Mark (2011). Molecular Basis of BACH1/FANCJ Recognition by TopBP1 in DNA Replication Checkpoint Control. Journal of Biological Chemistry 286(6) , 4292-4301. 10.1074/jbc.m110.189555. [PDB: 3al2, 3al3]
  • Lewis, Melissa; Meza-Avina, Maria Elena; Wei, Lianhu; Crandall, Ian E.; Bello, Angelica Mara et al. (2011). Novel Interactions of Fluorinated Nucleotide Derivatives Targeting Orotidine 5′-Monophosphate Decarboxylase. Journal of Medicinal Chemistry 54(8) , 2891-2901. 10.1021/jm101642g. [PDB: 3mo7]
  • Li, Alison Yueh; Lee, Jaeyong; Borek, Dominika; Otwinowski, Zbyszek; Tibbits, Glen F. et al. (2011). Crystal Structure of Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid Reveals Novel Conformation. Journal of Molecular Biology 413(3) , 699-711. 10.1016/j.jmb.2011.08.049. [PDB: 3rv5]
  • Lobo, Paolo A.; Kimlicka, Lynn; Tung, Ching-Chieh; Van Petegem, Filip (2011). The Deletion of Exon 3 in the Cardiac Ryanodine Receptor Is Rescued by β Strand Switching. Structure 19(6) , 790-798. 10.1016/j.str.2011.03.016.
  • Niu, Chunying; Yin, Jiang; Cherney, Maia M.; James, Michael N. G. (2011). Expression, purification and preliminary crystallographic analysis of Rv2247, the β subunit of acyl-CoA carboxylase (ACCD6) from Mycobacterium tuberculosis. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(12) , 1637-1640. 10.1107/s1744309111038413.
  • Petkun, Svetlana; Shi, Rong; Li, Yunge; Asinas, Abdalin; Munger, Christine et al. (2011). Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites. Structure 19(12) , 1773-1783. 10.1016/j.str.2011.09.023. [PDB: 3tsp, 3tsq, 3tsu, 3ttc, 3ttd, 3ttf]
  • Pluvinage, Benjamin; Higgins, Melanie A.; Abbott, D. Wade; Robb, Craig; Dalia, Ankur B. et al. (2011). Inhibition of the Pneumococcal Virulence Factor StrH and Molecular Insights into N-Glycan Recognition and Hydrolysis. Structure 19(11) , 1603-1614. 10.1016/j.str.2011.08.011. [PDB: 2yla]
  • Qiu, Liyan; Dhe-Paganon, Sirano (2011). Oligomeric Structure of the MALT1 Tandem Ig-Like Domains. PLoS ONE 6(9) , e23220. 10.1371/journal.pone.0023220.
  • Quan, Shu; Koldewey, Philipp; Tapley, Tim; Kirsch, Nadine; Ruane, Karen M et al. (2011). Genetic selection designed to stabilize proteins uncovers a chaperone called Spy. Nature Structural and Molecular Biology 18(3) , 262-269. 10.1038/nsmb.2016. [PDB: 3o39]
  • Rangarajan, Erumbi S.; Ruane, Karen M.; Proteau, Ariane; Schrag, Joseph D.; Valladares, Ricardo et al. (2011). Structural and enzymatic characterization of NanS (YjhS), a 9-O-Acetyl N-acetylneuraminic acid esterase from Escherichia coli O157:H7. Protein Science 20(7) , 1208-1219. 10.1002/pro.649. [PDB: 3pt5]
  • Roberts, Joseph N.; Singh, Rahul; Grigg, Jason C.; Murphy, Michael E. P.; Bugg, Timothy D. H. et al. (2011). Characterization of Dye-Decolorizing Peroxidases from Rhodococcus jostii RHA1. Biochemistry 50(23) , 5108-5119. 10.1021/bi200427h. [PDB: 3qnr]
  • Shi, Kun; Houston, Douglas R.; Berghuis, Albert M. (2011). Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2′′-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases. Biochemistry 50(28) , 6237-6244. 10.1021/bi200747f. [PDB: 3sg8]
  • Shi, Rong; McDonald, Laura; Cui, Qizhi; Matte, Allan; Cygler, Miroslaw et al. (2011). Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase. Proceedings of the National Academy of Sciences of the United States of America 108(4) , 1302-1307. 10.1073/pnas.1012596108. [PDB: 3pnm, 3pno, 3pnq]
  • Sidhu, Navdeep S.; Delbaere, Louis T. J.; Sheldrick, George M. (2011). Structure of a highly NADP+-specific isocitrate dehydrogenase. Acta Crystallographica Section D Biological Crystallography 67(10) , 856-869. 10.1107/s0907444911028575. [PDB: 3mbc]
  • Sun, Tianjun; Hayakawa, Koto; Fraser, Marie E. (2011). ADP–Mg2+bound to the ATP-grasp domain of ATP-citrate lyase. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(10) , 1168-1172. 10.1107/s1744309111028363. [PDB: 3pff]
  • Thede, Gina L.; Arthur, David C.; Edwards, Ross A.; Buelow, Daelynn R.; Wong, Julia L. et al. (2011). Structure of the Periplasmic Stress Response Protein CpxP. Journal of Bacteriology 193(9) , 2149-2157. 10.1128/jb.01296-10. [PDB: 3qzc]
  • Tonkin, Michelle L.; Roques, Magali; Lamarque, Mauld H.; Pugnière, Martine; Douguet, Dominique et al. (2011). Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of AMA1 with a RON2 Peptide. Science 333(6041) , 463-467. 10.1126/science.1204988. [PDB: 2y8s, 2y8t]
  • Turgeon, Zachari; Jørgensen, René; Visschedyk, Danielle; Edwards, Patrick R.; Legree, Sarah et al. (2011). Newly Discovered and Characterized Antivirulence Compounds Inhibit Bacterial Mono-ADP-Ribosyltransferase Toxins. Antimicrobial Agents and Chemotherapy 55(3) , 983-991. 10.1128/aac.01164-10.
  • Watanabe, Nobuhiko; Clay, Matthew D.; van Belkum, Marco J.; Fan, Chenguang; Vederas, John C. et al. (2011). The Structure of ll-Diaminopimelate Aminotransferase from Chlamydia trachomatis: Implications for Its Broad Substrate Specificity. Journal of Molecular Biology 411(3) , 649-660. 10.1016/j.jmb.2011.06.023. [PDB: 3asb]
  • Wong, Joyce J. W.; Lu, Jun; Edwards, Ross A.; Frost, Laura S.; Glover, J. N. Mark et al. (2011). Structural basis of cooperative DNA recognition by the plasmid conjugation factor, TraM. Nucleic Acids Research 39(15) , 6775-6788. 10.1093/nar/gkr296.
  • Wu, Hong; Zeng, Hong; Lam, Robert; Tempel, Wolfram; Amaya, Maria F. et al. (2011). Structural and Histone Binding Ability Characterizations of Human PWWP Domains. PLoS ONE 6(6) , e18919. 10.1371/journal.pone.0018919. [PDB: 3llr, 3lyi]
  • Zoraghi, Roya; Worrall, Liam; See, Raymond H.; Strangman, Wendy; Popplewell, Wendy L. et al. (2011). Methicillin-resistant Staphylococcus aureus (MRSA) Pyruvate Kinase as a Target for Bis-indole Alkaloids with Antibacterial Activities. Journal of Biological Chemistry 286(52) , 44716-44725. 10.1074/jbc.m111.289033. [PDB: 3t05, 3t07]

2010

  • Abbott, D. Wade; Gilbert, Harry J.; Boraston, Alisdair B. (2010). The Active Site of Oligogalacturonate Lyase Provides Unique Insights into Cytoplasmic Oligogalacturonate β-Elimination. Journal of Biological Chemistry 285(50) , 39029-39038. 10.1074/jbc.m110.153981. [PDB: 3pe7]
  • Adams-Cioaba, Melanie A.; Guo, Yahong; Bian, ChuanBing; Amaya, Maria F.; Lam, Robert et al. (2010). Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2. PLoS ONE 5(11) , e13559. 10.1371/journal.pone.0013559. [PDB: 3o8v]
  • Caly, Delphine L.; O'Toole, Paul W.; Moore, Stanley A. (2010). The 2.2-Å Structure of the HP0958 Protein from Helicobacter pylori Reveals a Kinked Anti-Parallel Coiled-Coil Hairpin Domain and a Highly Conserved Zn-Ribbon Domain. Journal of Molecular Biology 403(3) , 405-419. 10.1016/j.jmb.2010.08.051. [PDB: 3na7]
  • Campbell, Stephen J.; Edwards, Ross A.; Glover, J.N. Mark (2010). Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1. Structure 18(2) , 167-176. 10.1016/j.str.2009.12.008. [PDB: 3k0h, 3k0k, 3k15, 3k16]
  • Cherney, Maia M.; Zhang, Yanfei; Solomonson, Matthew; Weiner, Joel H.; James, Michael N.G. et al. (2010). Crystal Structure of Sulfide:Quinone Oxidoreductase from Acidithiobacillus ferrooxidans: Insights into Sulfidotrophic Respiration and Detoxification. Journal of Molecular Biology 398(2) , 292-305. 10.1016/j.jmb.2010.03.018. [PDB: 3t31]
  • Chung, Ivy Yeuk Wah; Paetzel, Mark (2010). Expression, purification and crystallization of VP4 protease fromTellinavirus 1. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67(1) , 157-160. 10.1107/s1744309110048803.
  • Cid, Melissa; Pedersen, Henriette Lodberg; Kaneko, Satoshi; Coutinho, Pedro M.; Henrissat, Bernard et al. (2010). Recognition of the Helical Structure of β-1,4-Galactan by a New Family of Carbohydrate-binding Modules. Journal of Biological Chemistry 285(46) , 35999-36009. 10.1074/jbc.m110.166330.
  • Dresen, Carola; Lin, Leo Y.-C.; D'Angelo, Igor; Tocheva, Elitza I.; Strynadka, Natalie et al. (2010). A Flavin-dependent Monooxygenase from Mycobacterium tuberculosis Involved in Cholesterol Catabolism. Journal of Biological Chemistry 285(29) , 22264-22275. 10.1074/jbc.m109.099028. [PDB: 3aff]
  • Gould, Alister D.; Shilton, Brian H. (2010). Studies of the Maltose Transport System Reveal a Mechanism for Coupling ATP Hydrolysis to Substrate Translocation without Direct Recognition of Substrate. Journal of Biological Chemistry 285(15) , 11290-11296. 10.1074/jbc.m109.089078. [PDB: 3hpi, 3kjt]
  • Grigg, Jason C.; Cooper, John D.; Cheung, Johnson; Heinrichs, David E.; Murphy, Michael E.P. et al. (2010). The Staphylococcus aureus Siderophore Receptor HtsA Undergoes Localized Conformational Changes to Enclose Staphyloferrin A in an Arginine-rich Binding Pocket. Journal of Biological Chemistry 285(15) , 11162-11171. 10.1074/jbc.m109.097865. [PDB: 3li2]
  • Grishin, Andrey M.; Ajamian, Eunice; Zhang, Linhua; Cygler, Miroslaw (2010). Crystallization and preliminary X-ray analysis of PaaAC, the main component of the hydroxylase of theEscherichia coliphenylacetyl-coenzyme A oxygenase complex. Acta Crystallographica Section F Structural Biology and Crystallization Communications 66(9) , 1045-1049. 10.1107/s174430911002748x.
  • He, Xiao; Szewczyk, Paul; Karyakin, Andrey; Evin, Mariah; Hong, Wen-Xu et al. (2010). Structure of a cation-bound multidrug and toxic compound extrusion transporter. Nature 467(7318) , 991-994. 10.1038/nature09408.
  • Khan, M. Qasim; Sweeting, Braden; Mulligan, Vikram Khipple; Arslan, Pharhad Eli; Cashman, Neil R. et al. (2010). Prion disease susceptibility is affected by β-structure folding propensity and local side-chain interactions in PrP. Proceedings of the National Academy of Sciences of the United States of America 107(46) , 19808-19813. 10.1073/pnas.1005267107. [PDB: 3o79]
  • Li, J. W.; Matias, E.; Chen, N.; Kim, C.-Y.; Wang, J. et al. (2010). Investigations of mechanical vibrations for beamlines at the Canadian Light Source. Journal of Synchrotron Radiation 18(2) , 109-116. 10.1107/s0909049510041075.
  • Lovering, Andrew L; Lin, Leo Y-C; Sewell, Edward W; Spreter, Thomas; Brown, Eric D et al. (2010). Structure of the bacterial teichoic acid polymerase TagF provides insights into membrane association and catalysis. Nature Structural and Molecular Biology 17(5) , 582-589. 10.1038/nsmb.1819. [PDB: 3l7i, 3l7j, 3l7k, 3l7l, 3l7m]
  • Malakhova, Margarita; D'Angelo, Igor; Kim, Hong-Gyum; Kurinov, Igor; Bode, Ann M. et al. (2010). The Crystal Structure of the Active Form of the C-Terminal Kinase Domain of Mitogen- and Stress-Activated Protein Kinase 1. Journal of Molecular Biology 399(1) , 41-52. 10.1016/j.jmb.2010.03.064.
  • Meza-Avina, Maria Elena; Wei, Lianhu; Liu, Yan; Poduch, Ewa; Bello, Angelica M. et al. (2010). Structural determinants for the inhibitory ligands of orotidine-5′-monophosphate decarboxylase. Bioorganic and Medicinal Chemistry 18(11) , 4032-4041. 10.1016/j.bmc.2010.04.017. [PDB: 3mi2]
  • Moore, Stanley A.; Ferhatoglu, Yurdagul; Jia, Yunhua; Al-Jiab, Rami A.; Scott, Maxwell J. et al. (2010). Structural and Biochemical Studies on the Chromo-barrel Domain of Male Specific Lethal 3 (MSL3) Reveal a Binding Preference for Mono- or Dimethyllysine 20 on Histone H4. Journal of Biological Chemistry 285(52) , 40879-40890. 10.1074/jbc.m110.134312.
  • Moore, Stanley A.; Jia, Yunhua (2010). Structure of the Cytoplasmic Domain of the Flagellar Secretion Apparatus Component FlhA from Helicobacter pylori. Journal of Biological Chemistry 285(27) , 21060-21069. 10.1074/jbc.m110.119412. [PDB: 3myd]
  • Partha, Sarathy Karunan; Sadeghi-Khomami, Ali; Slowski, Kathryn; Kotake, Toshihisa; Thomas, Neil R. et al. (2010). Chemoenzymatic Synthesis, Inhibition Studies, and X-ray Crystallographic Analysis of the Phosphono Analog of UDP-Galp as an Inhibitor and Mechanistic Probe for UDP-Galactopyranose Mutase. Journal of Molecular Biology 403(4) , 578-590. 10.1016/j.jmb.2010.08.053. [PDB: 3mj4]
  • Peña, Kerry L.; Castel, Stephane E.; de Araujo, Charlotte; Espie, George S.; Kimber, Matthew S. et al. (2010). Structural basis of the oxidative activation of the carboxysomal γ-carbonic anhydrase, CcmM. Proceedings of the National Academy of Sciences of the United States of America 107(6) , 2455-2460. 10.1073/pnas.0910866107.
  • Protsko, Carla; Vieille, Claire; Laivenieks, Maris; Prasad, Lata; Sanders, David A. R. et al. (2010). Crystallization and preliminary X-ray diffraction analysis of theThermoanaerobacter ethanolicussecondary alcohol dehydrogenase I86A mutant. Acta Crystallographica Section F Structural Biology and Crystallization Communications 66(7) , 831-833. 10.1107/s1744309110018981.
  • Reniere, Michelle L.; Ukpabi, Georgia N.; Harry, S. Reese; Stec, Donald F.; Krull, Robert et al. (2010). The IsdG-family of haem oxygenases degrades haem to a novel chromophore. Molecular Microbiology 75(6) , 1529-1538. 10.1111/j.1365-2958.2010.07076.x. [PDB: 3lgm, 3lgn]
  • Shi, Rong; Munger, Christine; Asinas, Abdalin; Benoit, Stéphane L.; Miller, Erica et al. (2010). Crystal Structures of Apo and Metal-Bound Forms of the UreE Protein from Helicobacter pylori: Role of Multiple Metal Binding Sites,. Biochemistry 49(33) , 7080-7088. 10.1021/bi100372h. [PDB: 3nxz, 3ny0]
  • Shi, Rong; Proteau, Ariane; Villarroya, Magda; Moukadiri, Ismaïl; Zhang, Linhua et al. (2010). Structural Basis for Fe–S Cluster Assembly and tRNA Thiolation Mediated by IscS Protein–Protein Interactions. PLoS Biology 8(4) , e1000354. 10.1371/journal.pbio.1000354. [PDB: 3lvl]
  • Strushkevich, Natallia; Usanov, Sergey A.; Park, Hee-Won (2010). Structural Basis of Human CYP51 Inhibition by Antifungal Azoles. Journal of Molecular Biology 397(4) , 1067-1078. 10.1016/j.jmb.2010.01.075. [PDB: 3jus]
  • Sun, Tianjun; Hayakawa, Koto; Bateman, Katherine S.; Fraser, Marie E. (2010). Identification of the Citrate-binding Site of Human ATP-Citrate Lyase Using X-ray Crystallography. Journal of Biological Chemistry 285(35) , 27418-27428. 10.1074/jbc.m109.078667. [PDB: 3mwd]
  • Tung, Ching-Chieh; Lobo, Paolo A.; Kimlicka, Lynn; Van Petegem, Filip (2010). The amino-terminal disease hotspot of ryanodine receptors forms a cytoplasmic vestibule. Nature 468(7323) , 585-588. 10.1038/nature09471. [PDB: 2xoa]
  • van Straaten, Karin E.; Zheng, Hongyan; Palmer, David R. J.; Sanders, David A. R. (2010). Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification. Biochemical Journal 432(2) , 237-247. 10.1042/bj20101079. [PDB: 3mz0, 3nt2, 3nt4, 3nt5, 3nto, 3ntq, 3ntr]
  • Wang, Weijun; Mazurkewich, Scott; Kimber, Matthew S.; Seah, Stephen Y.K. (2010). Structural and Kinetic Characterization of 4-Hydroxy-4-methyl-2-oxoglutarate/4-Carboxy-4-hydroxy-2-oxoadipate Aldolase, a Protocatechuate Degradation Enzyme Evolutionarily Convergent with the HpaI and DmpG Pyruvate Aldolases. Journal of Biological Chemistry 285(47) , 36608-36615. 10.1074/jbc.m110.159509. [PDB: 3noj]
  • Wernimont, Amy K.; Amani, Merhnaz; Qiu, Wei; Pizarro, Juan C.; Artz, Jennifer D. et al. (2010). Structures of parasitic CDPK domains point to a common mechanism of activation. Proteins: Structure. Function and Bioinformatics 79(3) , 803-820. 10.1002/prot.22919. [PDB: 3k21]
  • Wiseman, Ben; Carpena, Xavi; Feliz, Miguel; Donald, Lynda J.; Pons, Miquel et al. (2010). Isonicotinic Acid Hydrazide Conversion to Isonicotinyl-NAD by Catalase-peroxidases. Journal of Biological Chemistry 285(34) , 26662-26673. 10.1074/jbc.m110.139428. [PDB: 5sxq, 5sxr, 5sxs, 5sxt, 5sxw, 5sxx]
  • Worrall, Liam J.; Vuckovic, Marija; Strynadka, Natalie C. J. (2010). Crystal structure of the C-terminal domain of the Salmonella type III secretion system export apparatus protein InvA. Protein Science 19(5) , 1091-1096. 10.1002/pro.382. [PDB: 2x49]
  • Xu, Chao; Bian, Chuanbing; Yang, Wei; Galka, Marek; Ouyang, Hui et al. (2010). Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proceedings of the National Academy of Sciences of the United States of America 107(45) , 19266-19271. 10.1073/pnas.1008937107.

2009

  • Beasley, Federico C.; Vinés, Enrique D.; Grigg, Jason C.; Zheng, Qin; Liu, Suya et al. (2009). Characterization of staphyloferrin A biosynthetic and transport mutants inStaphylococcus aureus. Molecular Microbiology 72(4) , 947-963. 10.1111/j.1365-2958.2009.06698.x. [PDB: 3eiw]
  • Bello, Angelica M.; Konforte, Danijela; Poduch, Ewa; Furlonger, Caren; Wei, Lianhu et al. (2009). Structure−Activity Relationships of Orotidine-5′-Monophosphate Decarboxylase Inhibitors as Anticancer Agents. Journal of Medicinal Chemistry 52(6) , 1648-1658. 10.1021/jm801224t. [PDB: 3g3m]
  • Capyk, Jenna K.; D’Angelo, Igor; Strynadka, Natalie C.; Eltis, Lindsay D. (2009). Characterization of 3-Ketosteroid 9α-Hydroxylase, a Rieske Oxygenase in the Cholesterol Degradation Pathway of Mycobacterium tuberculosis. Journal of Biological Chemistry 284(15) , 9937-9946. 10.1074/jbc.m900719200. [PDB: 2zyl]
  • Cheung, Tsz Ying Sylvia; Fairchild, Michael J.; Zarivach, Raz; Tanentzapf, Guy; Van Petegem, Filip et al. (2009). Crystal Structure of the Talin Integrin Binding Domain 2. Journal of Molecular Biology 387(4) , 787-793. 10.1016/j.jmb.2009.01.053. [PDB: 3fyq]
  • Eble, Johannes A.; Niland, Stephan; Bracht, Thilo; Mormann, Michael; Peter-Katalinic, Jasna et al. (2009). The α2β1 integrin‐specific antagonist rhodocetin is a cruciform, heterotetrameric molecule. FASEB Journal 23(9) , 2917-2927. 10.1096/fj.08-126763.
  • Higgins, Melanie A.; Whitworth, Garrett E.; El Warry, Nahida; Randriantsoa, Mialy; Samain, Eric et al. (2009). Differential Recognition and Hydrolysis of Host Carbohydrate Antigens by Streptococcus pneumoniae Family 98 Glycoside Hydrolases. Journal of Biological Chemistry 284(38) , 26161-26173. 10.1074/jbc.m109.024067.
  • Karunan Partha, Sarathy; Bonderoff, Sara A.; van Straaten, Karin E.; Sanders, David A. R. (2009). Expression, purification and preliminary X-ray crystallographic analysis of UDP-galactopyranose mutase fromDeinococcus radiodurans. Acta Crystallographica Section F Structural Biology and Crystallization Communications 65(8) , 843-845. 10.1107/s1744309109027754.
  • Karunan Partha, Sarathy; van Straaten, Karin E.; Sanders, David A.R. (2009). Structural Basis of Substrate Binding to UDP-galactopyranose Mutase: Crystal Structures in the Reduced and Oxidized State Complexed with UDP-galactopyranose and UDP. Journal of Molecular Biology 394(5) , 864-877. 10.1016/j.jmb.2009.10.013. [PDB: 3hdq, 3hdy, 3he3]
  • Lee, Ho Jun; Rakić, Bojana; Gilbert, Michel; Wakarchuk, Warren W.; Withers, Stephen G. et al. (2009). Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase OatWY from Neisseria meningitidis. Journal of Biological Chemistry 284(36) , 24501-24511. 10.1074/jbc.m109.006049. [PDB: 2wlg]
  • Leung, Charles Chung Yun; Kellogg, Elizabeth; Kuhnert, Anja; Hänel, Frank; Baker, David et al. (2009). Insights from the crystal structure of the sixth BRCT domain of topoisomerase IIβ binding protein 1. Protein Science , 162-167. 10.1002/pro.290. [PDB: 3jve]
  • Liu, Lili; O'Grady, Christopher; Dalrymple, Sean A.; Prasad, Lata; Dmitriev, Oleg Y. et al. (2009). Crystallization and preliminary X-ray studies of the N-domain of the Wilson disease associated protein. Acta Crystallographica Section F Structural Biology and Crystallization Communications 65(6) , 621-624. 10.1107/s1744309109017023.
  • Li, Yang; He, Yujiong; Luo, Yu (2009). Conservation of a conformational switch in RadA recombinase fromMethanococcus maripaludis. Acta Crystallographica Section D Biological Crystallography 65(6) , 602-610. 10.1107/s0907444909011871. [PDB: 3etl, 3ew9, 3ewa]
  • Li, Yang; He, Yujiong; Luo, Yu (2009). Crystal Structure of an Archaeal Rad51 Homologue in Complex with a Metatungstate Inhibitor. Biochemistry 48(29) , 6805-6810. 10.1021/bi900832t. [PDB: 3fyh]
  • Lobo, Paolo Antonio; Van Petegem, Filip (2009). Crystal Structures of the N-Terminal Domains of Cardiac and Skeletal Muscle Ryanodine Receptors: Insights into Disease Mutations. Structure 17(11) , 1505-1514. 10.1016/j.str.2009.08.016. [PDB: 3ila, 3im5, 3im6, 3im7]
  • McFarlane, Ainsley A.; Stetefeld, Jörg (2009). An interdomain disulfide bridge links the NtA and first FS domain in agrin. Protein Science 18(12) , 2421-2428. 10.1002/pro.276. [PDB: 3i70]
  • Moraes, Trevor F.; Yu, Rong-hua; Strynadka, Natalie C.J.; Schryvers, Anthony B. (2009). Insights into the Bacterial Transferrin Receptor: The Structure of Transferrin-Binding Protein B from Actinobacillus pleuropneumoniae. Molecular Cell 35(4) , 523-533. 10.1016/j.molcel.2009.06.029. [PDB: 3hoe, 3hol]
  • Orriss, George L.; Patel, Trushar R.; Sorensen, John; Stetefeld, Jörg (2009). Absence of a catalytic water confers resistance to the neurotoxin gabaculine. FASEB Journal 24(2) , 404-414. 10.1096/fj.09-138297.
  • Osman, Khan Tanjid; Du, Liqin; He, Yujiong; Luo, Yu (2009). Crystal Structure of Bacillus cereus d-Alanyl Carrier Protein Ligase (DltA) in Complex with ATP. Journal of Molecular Biology 388(2) , 345-355. 10.1016/j.jmb.2009.03.040. [PDB: 3fcc]
  • Rao, Francesco V; Rich, Jamie R; Rakić, Bojana; Buddai, Sai; Schwartz, Marc F et al. (2009). Structural insight into mammalian sialyltransferases. Nature Structural and Molecular Biology 16(11) , 1186-1188. 10.1038/nsmb.1685. [PDB: 2wnf]
  • Turgeon, Zachari; White, Dawn; Jørgensen, René; Visschedyk, Danielle; Fieldhouse, Robert J. et al. (2009). Yeast as a tool for characterizing mono-ADP-ribosyltransferase toxins. FEMS Microbiology Letters 300(1) , 97-106. 10.1111/j.1574-6968.2009.01777.x. [PDB: 3ess]
  • van Straaten, K. E.; Langill, D. M.; Palmer, D. R. J.; Sanders, D. A. R. (2009). Purification, crystallization and preliminary X-ray analysis of NtdA, a putative pyridoxal phosphate-dependent aminotransferase fromBacillus subtilis. Acta Crystallographica Section F Structural Biology and Crystallization Communications 65(4) , 426-429. 10.1107/s1744309109009038.
  • Zamyatkin, Dmitry F.; Parra, Francisco; Machín, Ángeles; Grochulski, Pawel; Ng, Kenneth K.-S. et al. (2009). Binding of 2′-Amino-2′-Deoxycytidine-5′-Triphosphate to Norovirus Polymerase Induces Rearrangement of the Active Site. Journal of Molecular Biology 390(1) , 10-16. 10.1016/j.jmb.2009.04.069. [PDB: 3h5x, 3h5y]

2008

  • Bello, Angelica M.; Poduch, Ewa; Liu, Yan; Wei, Lianhu; Crandall, Ian et al. (2008). Structure–Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase. Journal of Medicinal Chemistry 51(3) , 439-448. 10.1021/jm7010673. [PDB: 3bar]
  • Jørgensen, René; Wang, Yolanda; Visschedyk, Danielle; Merrill, A Rod (2008). The nature and character of the transition state for the ADP‐ribosyltransferase reaction. EMBO Reports 9(8) , 802-809. 10.1038/embor.2008.90. [PDB: 2zit]
  • Marchetti, Adrian; Parker, Micaela S.; Moccia, Lauren P.; Lin, Ellen O.; Arrieta, Angele L. et al. (2008). Ferritin is used for iron storage in bloom-forming marine pennate diatoms. Nature 457(7228) , 467-470. 10.1038/nature07539.
  • Phenix, Christopher P.; Nienaber, Kurt; Tam, Pui Hang; Delbaere, Louis T. J.; Palmer, David R. J. et al. (2008). Structural, Functional and Calorimetric Investigation of MosA, a Dihydrodipicolinate Synthase fromSinorhizobium melilotiL5–30, does not Support Involvement in Rhizopine Biosynthesis. ChemBioChem 9(10) , 1591-1602. 10.1002/cbic.200700569. [PDB: 2vc6]
  • Sun, Wanpeng; Geyer, C.; Yang, Jian (2008). Cloning, Expression, Purification and Crystallization of the PR Domain of Human Retinoblastoma Protein-Binding Zinc Finger Protein 1 (RIZ1). International Journal of Molecular Sciences 9(6) , 943-950. 10.3390/ijms9060943.
  • Van Straaten, K. E.; Hoffort, A.; Palmer, D. R. J.; Sanders, D. A. R. (2008). Purification, crystallization and preliminary X-ray analysis of inositol dehydrogenase (IDH) fromBacillus subtilis. Acta Crystallographica Section F Structural Biology and Crystallization Communications 64(2) , 98-101. 10.1107/s1744309108000328.
  • Yin, Jiang; Garen, Craig R.; Cherney, Maia M.; Cherney, Leonid T.; James, Michael N. G. et al. (2008). Expression, purification and preliminary crystallographic analysis ofN-acetylglucosamine-1-phosphate uridylyltransferase fromMycobacterium tuberculosis. Acta Crystallographica Section F Structural Biology and Crystallization Communications 64(9) , 805-808. 10.1107/s1744309108024500.
  • Zamyatkin, Dmitry F.; Parra, Francisco; Alonso, José M. Martín; Harki, Daniel A.; Peterson, Blake R. et al. (2008). Structural Insights into Mechanisms of Catalysis and Inhibition in Norwalk Virus Polymerase. Journal of Biological Chemistry 283(12) , 7705-7712. 10.1074/jbc.m709563200. [PDB: 3bsn]

2007

  • Mizuno, Yutaka; Moorhead, Greg B.G.; Ng, Kenneth K.-S. (2007). Structural Basis for the Regulation of N-Acetylglutamate Kinase by PII in Arabidopsis thaliana. Journal of Biological Chemistry 282(49) , 35733-35740. 10.1074/jbc.m707127200. [PDB: 2rd5]
  • Puttick, Jennifer; Vieille, Claire; Song, Seung H.; Fodje, Michel N.; Grochulski, Pawel et al. (2007). Crystallization, preliminary X-ray diffraction and structure analysis ofThermotoga maritimamannitol dehydrogenase. Acta Crystallographica Section F Structural Biology and Crystallization Communications 63(4) , 350-352. 10.1107/s1744309107013097.

2006

  • Qian, Xinguo; He, Yujiong; Ma, Xinfeng; Fodje, Michel N.; Grochulski, Pawel et al. (2006). Calcium Stiffens Archaeal Rad51 Recombinase from Methanococcus voltae for Homologous Recombination. Journal of Biological Chemistry 281(51) , 39380-39387. 10.1074/jbc.m607785200. [PDB: 2i1q]

2004

  • Prasad, Lata; Leduc, Yvonne; Hayakawa, Koto; Delbaere, Louis T. J. (2004). The structure of a universally employed enzyme: V8 protease fromStaphylococcus aureus. Acta Crystallographica Section D Biological Crystallography 60(2) , 256-259. 10.1107/s090744490302599x. [PDB: 2o8l]
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