Publication Beamlines Strategic Pillar
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] CMCF-ID Health
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] CMCF-ID Agriculture
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-BM, CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Environment
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] CMCF-ID Health
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] CMCF-ID Health