Publication Beamlines Strategic Pillar
Zhang, Wei; Bailey-Elkin, Ben A.; Knaap, Robert C. M.; Khare, Baldeep; Dalebout, Tim J. et al. (2017). Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants. PLoS Pathogens 13(5) , e1006372. 10.1371/journal.ppat.1006372. [PDB: 5v5g, 5v5h, 5v6a] CMCF-BM, CMCF-ID Health
Hynes, John; Wu, Hong; Kempson, James; Duan, James J.-W.; Lu, Zhonghui et al. (2017). Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Bioorganic and Medicinal Chemistry Letters 27(14) , 3101-3106. 10.1016/j.bmcl.2017.05.043. [PDB: 5vo6] CMCF-ID Health
Li, Zhijie; Han, Kristina; Pak, John E; Satkunarajah, Malathy; Zhou, Dongxia et al. (2017). Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1. Nature Chemical Biology 13(7) . 10.1038/nchembio.2381. [PDB: 5kxh, 5kxq, 5ky0, 5ky2, 5ky3, 5ky4, 5ky5, 5ky7, 5ky8, 5ky9] CMCF-ID Health
Huang, Xin; Chen, Hao; Shaffer, Paul L. (2017). Crystal Structures of Human GlyRα3 Bound to Ivermectin. Structure 25(6) , 945-950. 10.1016/j.str.2017.04.007. [PDB: 5vdi] CMCF-ID Health
McCallum, Matthew; Tammam, Stephanie; Khan, Ahmad; Burrows, Lori L.; Howell, P. Lynne et al. (2017). The molecular mechanism of the type IVa pilus motors. Nature Communications 8(1) . 10.1038/ncomms15091. [PDB: 5tsg, 5tsh] CMCF-ID Health
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