Publication Beamlines Strategic Pillar
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
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
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
Juvvadi, Praveen R.; Fox, David; Bobay, Benjamin G.; Hoy, Michael J.; Gobeil, Sophie M. C. et al. (2019). Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nature Communications 10(1) . 10.1038/s41467-019-12199-1. [PDB: 6tz7] CMCF-ID Health
Lu, Zhonghui; Duan, James J.-W.; Xiao, Haiyun; Neels, James; Wu, Dauh-Rurng et al. (2019). Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as RORγt inverse agonists. Bioorganic and Medicinal Chemistry Letters 29(16) . 10.1016/j.bmcl.2019.06.036. [PDB: 6p9f] CMCF-ID Health
Methot, Joey L.; Zhou, Hua; Kattar, Sam D.; McGowan, Meredeth A.; Wilson, Kevin et al. (2019). Structure Overhaul Affords a Potent Purine PI3Kδ Inhibitor with Improved Tolerability. Journal of Medicinal Chemistry 62(9) . 10.1021/acs.jmedchem.8b01818. [PDB: 6mul] CMCF-ID Health
Rescourio, Gwenaella; Gonzalez, Ana Z.; Jabri, Salman; Belmontes, Brian; Moody, Gordon et al. (2019). Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an α-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. Journal of Medicinal Chemistry 62(22) , 10258-10271. 10.1021/acs.jmedchem.9b01310. [PDB: 6ud2, 6udi] CMCF-ID Health
Riggs, Jennifer R.; Elsner, Jan; Cashion, Dan; Robinson, Dale; Tehrani, Lida et al. (2019). Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. Journal of Medicinal Chemistry 62(9) , 4401-4410. 10.1021/acs.jmedchem.8b01869. [PDB: 6n6o] 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
Smith, Bryan D.; Kaufman, Michael D.; Lu, Wei-Ping; Gupta, Anu; Leary, Cynthia B. et al. (2019). Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants. Cancer Cell 35(5) , 738-751.e9. 10.1016/j.ccell.2019.04.006. [PDB: 6mob] 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
Tang, Aimin; Chen, Zhifeng; Cox, Kara S.; Su, Hua-Poo; Callahan, Cheryl et al. (2019). A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein. Nature Communications 10(1) . 10.1038/s41467-019-12137-1. [PDB: 6ous] CMCF-ID Health
Wrobleski, Stephen T.; Moslin, Ryan; Lin, Shuqun; Zhang, Yanlei; Spergel, Steven et al. (2019). Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. Journal of Medicinal Chemistry 62(20) . 10.1021/acs.jmedchem.9b00444. [PDB: 6nzq, 6nzr] CMCF-ID Health