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
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
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
Khan, J.A. (2019). CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound. Protein Data Bank: 6nzr. CMCF-ID Health
Khan, J.A. (2019). CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound. Protein Data Bank: 6nzq. 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
Sack, J. (2019). Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor. Protein Data Bank: 6p9f. CMCF-ID Health
Sack, J.S. (2019). Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor. Protein Data Bank: 6ny4. CMCF-ID Health