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