Publication Beamlines Strategic Pillar
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
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
Sengupta, Shomit; Giaime, Emilie; Narayan, Sridhar; Hahm, Seung; Howell, Jessica et al. (2019). Discovery of NV-5138, the first selective Brain mTORC1 activator. Scientific Reports 9(1) , 4107. 10.1038/s41598-019-40693-5. [PDB: 6n0m] CMCF-ID Health
Simonetta, Kyle R.; Taygerly, Joshua; Boyle, Kathleen; Basham, Stephen E.; Padovani, Chris et al. (2019). Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nature Communications 10(1) , 1402. 10.1038/s41467-019-09358-9. [PDB: 6m91, 6m92, 6m93, 6m94] CMCF-ID Health
Spergel, Steven H.; Mertzman, Michael E.; Kempson, James; Guo, Junqing; Stachura, Sylwia et al. (2019). Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis. ACS Medicinal Chemistry Letters 10(3) , 306-311. 10.1021/acsmedchemlett.8b00508. [PDB: 6ny4] CMCF-ID Health