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