Publication Beamlines Strategic Pillar
Kallander, Lara S.; Washburn, David; Hilfiker, Mark A.; Eidam, Hilary Schenck; Lawhorn, Brian G. et al. (2018). Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Medicinal Chemistry Letters 9(7) , 736-740. 10.1021/acsmedchemlett.8b00173. [PDB: 6bsm] CMCF-ID Health
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
Qiu, Luping; Levine, Kymberly; Gajiwala, Ketan S.; Cronin, Ciarán N.; Nagata, Asako et al. (2018). Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE 13(6) , e0198374. 10.1371/journal.pone.0198374. [PDB: 6cz2, 6cz3] CMCF-ID Health
Stöppler, Daniel; Macpherson, Alex; Smith-Penzel, Susanne; Basse, Nicolas; Lecomte, Fabien et al. (2018). Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biology 16(5) , e2006192. 10.1371/journal.pbio.2006192. [PDB: 6c97, 6c98] 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
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
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
Khan, J.A. (2018). CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE. Protein Data Bank: 5wdj. 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
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
Wagner, Florence F.; Benajiba, Lina; Campbell, Arthur J.; Weïwer, Michel; Sacher, Joshua R. et al. (2018). Exploiting an Asp-Glu “switch” in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Science Translational Medicine 10(431) , eaam8460. 10.1126/scitranslmed.aam8460. [PDB: 5kpl, 5kpm] CMCF-ID Health
McAllister, Laura A.; Butler, Christopher R.; Mente, Scot; O’Neil, Steven V.; Fonseca, Kari R. et al. (2018). Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. Journal of Medicinal Chemistry 61(7) , 3008-3026. 10.1021/acs.jmedchem.8b00070. [PDB: 6bq0] CMCF-ID Health
Stanger, Frédéric V.; de Beer, Tjaart A.P.; Dranow, David M.; Schirmer, Tilman; Phan, Isabelle et al. (2017). The BID Domain of Type IV Secretion Substrates Forms a Conserved Four-Helix Bundle Topped with a Hook. Structure 25(1) , 203-211. 10.1016/j.str.2016.10.010. [PDB: 4yk1] CMCF-ID Health
Mahoney, Sarah J.; Narayan, Sridhar; Molz, Lisa; Berstler, Lauren A.; Kang, Seong A. et al. (2018). A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nature Communications 9(1) . 10.1038/s41467-018-03035-z. [PDB: 6bt0] CMCF-ID Health
Rai, Ganesha; Brimacombe, Kyle R.; Mott, Bryan T.; Urban, Daniel J.; Hu, Xin et al. (2017). Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). Journal of Medicinal Chemistry 60(22) , 9184-9204. 10.1021/acs.jmedchem.7b00941. [PDB: 5w8h, 5w8j] CMCF-ID Health