Publication Beamlines Strategic Pillar
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] CMCF-ID Health
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] CMCF-ID Health
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] CMCF-ID Health
Fong, Desiree H.; Burk, David L.; Blanchet, Jonathan; Yan, Amy Y.; Berghuis, Albert M. et al. (2017). Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure 25(5) , 750-761. 10.1016/j.str.2017.03.007. [PDB: 5igh, 5igi, 5igj, 5igp, 5igr, 5igs, 5igt, 5igu, 5igv, 5igy, 5igz, 5ih0, 5ih1, 5iwu] CMCF-ID Health
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] CMCF-ID Health
Gorelik, Alexei; Liu, Fangyu; Illes, Katalin; Nagar, Bhushan (2017). Crystal structure of the human alkaline sphingomyelinase provides insights into substrate recognition. Journal of Biological Chemistry 292(17) , 7087-7094. 10.1074/jbc.m116.769273. [PDB: 5tcd, 5udy] CMCF-ID Health
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] CMCF-ID Health
El-Halfawy, Omar M.; Klett, Javier; Ingram, Rebecca J.; Loutet, Slade A.; Murphy, Michael E. P. et al. (2017). Antibiotic Capture by Bacterial Lipocalins Uncovers an Extracellular Mechanism of Intrinsic Antibiotic Resistance. mBio 8(2) , e00225-17. 10.1128/mbio.00225-17. [PDB: 5ixg, 5ixh] CMCF-ID Health
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] CMCF-ID Health
Eastman, Kyle J.; Parcella, Kyle; Yeung, Kap-Sun; Grant-Young, Katharine A.; Zhu, Juliang et al. (2017). The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. MedChemComm 8(4) , 796-806. 10.1039/c6md00636a. [PDB: 5twn] CMCF-ID Health
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] CMCF-ID Health
Abbas, Yazan M.; Laudenbach, Beatrice Theres; Martínez-Montero, Saúl; Cencic, Regina; Habjan, Matthias et al. (2017). Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2′-O methylations. Proceedings of the National Academy of Sciences of the United States of America 114(11) , E2106-E2115. 10.1073/pnas.1612444114. [PDB: 5udi, 5udj, 5udk, 5udl] CMCF-ID Health
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
Grochulski, Pawel; Fodje, Michel; Labiuk, Shaun; Wysokinski, Tomasz W.; Belev, George et al. (2017). Review of Canadian Light Source facilities for biological applications. Nuclear Instruments and Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms 411, 17-21. 10.1016/j.nimb.2017.01.065. BIOXAS, BMIT-BM, BMIT-ID, CMCF-BM, CMCF-ID, MID-IR Health
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