Publication Beamlines Strategic Pillar
Bagal, Sharan K.; Andrews, Mark; Bechle, Bruce M.; Bian, Jianwei; Bilsland, James et al. (2018). Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. Journal of Medicinal Chemistry 61(15) , 6779-6800. 10.1021/acs.jmedchem.8b00633. [PDB: 6dkb] CMCF-ID Health
Bagal, Sharan K.; Omoto, Kiyoyuki; Blakemore, David C.; Bungay, Peter J.; Bilsland, James G. et al. (2018). Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors. Journal of Medicinal Chemistry 62(1) , 247-265. 10.1021/acs.jmedchem.8b00280. [PDB: 6d20] CMCF-ID Health
Bonday, Zahid Q.; Cortez, Guillermo S.; Grogan, Michael J.; Antonysamy, Stephen; Weichert, Ken et al. (2018). LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity. ACS Medicinal Chemistry Letters 9(7) , 612-617. 10.1021/acsmedchemlett.8b00014. [PDB: 6ckc] CMCF-ID Health
Bryan, Marian C.; Drobnick, Joy; Gobbi, Alberto; Kolesnikov, Aleksandr; Chen, Yongsheng et al. (2019). Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. Journal of Medicinal Chemistry 62(13) . 10.1021/acs.jmedchem.9b00439. [PDB: 6o9d] CMCF-ID Health
Chong, Pek Y.; Shotwell, J. Brad; Miller, John; Price, Daniel J.; Maynard, Andy et al. (2019). Design of N-Benzoxaborole Benzofuran GSK8175—Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. Journal of Medicinal Chemistry 62(7) , 3254-3267. 10.1021/acs.jmedchem.8b01719. [PDB: 6mvo] CMCF-ID Health
Dementiev, Alexey; Silva, Abel; Yee, Calvin; Li, Zhe; Flavin, Michael T. et al. (2018). Structures of human plasma β–factor XIIa cocrystallized with potent inhibitors. Blood advances 2(5) , 549-558. 10.1182/bloodadvances.2018016337. [PDB: 6b74] CMCF-ID Health
Duan, James J.-W.; Lu, Zhonghui; Jiang, Bin; Stachura, Sylwia; Weigelt, Carolyn A. et al. (2019). Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists. ACS Medicinal Chemistry Letters 10(3) , 367-373. 10.1021/acsmedchemlett.9b00010. [PDB: 6nx1] CMCF-ID Health
Duclos, Franck; Abell, Lynn M.; Harden, David G.; Pike, Kristen; Nowak, Kimberly et al. (2017). Triazolopyrimidines identified as reversible myeloperoxidase inhibitors. MedChemComm 8(11) , 2093-2099. 10.1039/c7md00268h. [PDB: 5wdj] 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
Edwards, T.E.; Abendroth, J.; Safford, K.; Chun, L. (2019). Crystal structure of KIT1 in complex with DP2976 via co-crystallization. Protein Data Bank: 6mob. CMCF-ID Health
Fischmann, T.O. (2019). Murine PI3K delta kinsae domain - cpd 1. Protein Data Bank: 6mul. CMCF-ID Health
Gassaway, Brandon M.; Cardone, Rebecca L.; Padyana, Anil K.; Petersen, Max C.; Judd, Evan T. et al. (2019). Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Reports 29(11) , 3394-3404.e9. 10.1016/j.celrep.2019.11.009. [PDB: 6ech] CMCF-ID Health
Gong, Hua; Weinstein, David S.; Lu, Zhonghui; Duan, James J.-W.; Stachura, Sylwia et al. (2018). Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (RORγ/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorganic and Medicinal Chemistry Letters 28(2) , 85-93. 10.1016/j.bmcl.2017.12.006. [PDB: 6bns] CMCF-ID Health
Hamaguchi, Hisao; Amano, Yasushi; Moritomo, Ayako; Shirakami, Shohei; Nakajima, Yutaka et al. (2018). Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor. Bioorganic and Medicinal Chemistry 26(18) , 4971-4983. 10.1016/j.bmc.2018.08.005. [PDB: 6aak] CMCF-ID Health
Huang, Christine S.; Oberbeck, Nina; Hsiao, Yi-Chun; Liu, Peter; Johnson, Adam R. et al. (2018). Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity. Structure 26(5) , 767-777.e5. 10.1016/j.str.2018.04.002. [PDB: 5wni] CMCF-ID Health