Publication Beamlines Strategic Pillar
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
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] 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
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] CMCF-ID Materials
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] CMCF-ID Environment
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] 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
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] CMCF-ID Health
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] 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
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
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] CMCF-ID Health
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] CMCF-ID Health