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
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
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
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
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
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
Motamedi, Pouyan; Bosnick, Ken; Cadien, Ken; Hogan, James D. (2018). In Situ Synchrotron X-Ray Diffraction Analysis of Phase Transformation in Epitaxial Metastable hcp Nickel Thin Films, Prepared via Plasma-Enhanced Atomic Layer Deposition. Advanced Materials Interfaces 5(24) , 1800957. 10.1002/admi.201800957. IDEAS Materials
Ozer, Hatice Gulcin; El-Gamal, Dalia; Powell, Ben; Hing, Zachary A.; Blachly, James S. et al. (2018). BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discovery 8(4) , 458-477. 10.1158/2159-8290.cd-17-0902. [PDB: 5wma] 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
Smith, Peter A.; Koehler, Michael F. T.; Girgis, Hany S.; Yan, Donghong; Chen, Yongsheng et al. (2018). Optimized arylomycins are a new class of Gram-negative antibiotics. Nature 561(7722) , 189-194. 10.1038/s41586-018-0483-6. [PDB: 6b88] 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