Publication Beamlines Strategic Pillar
Huhn, Annissa J.; Gardberg, Anna S.; Poy, Florence; Brucelle, Francois; Vivat, Valerie et al. (2020). Early Drug‐Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. ChemMedChem 15(11) . 10.1002/cmdc.202000007. [PDB: 6v8n] CMCF-ID Health
Hu, Zilun; Wang, Cailan; Glunz, Peter W.; Li, Julia; Cheadle, Nathan L. et al. (2020). Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorganic and Medicinal Chemistry Letters 30(21) , 127495. 10.1016/j.bmcl.2020.127495. [PDB: 7jou] CMCF-ID Health
Liu, Jian; Yu, Younong; Kelly, Joseph; Sha, Deyou; Alhassan, Abdul-Basit et al. (2020). Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. ACS Medicinal Chemistry Letters 11(12) , 2476-2483. 10.1021/acsmedchemlett.0c00462. [PDB: 7kbg] CMCF-ID Health
Mitcheltree, Matthew J.; Li, Derun; Achab, Abdelghani; Beard, Adam; Chakravarthy, Kalyan et al. (2020). Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. ACS Medicinal Chemistry Letters 11(4) , 582-588. 10.1021/acsmedchemlett.0c00058. [PDB: 6v7c] CMCF-ID Health
Palte, Rachel L.; Schneider, Sebastian E.; Altman, Michael D.; Hayes, Robert P.; Kawamura, Shuhei et al. (2020). Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). ACS Medicinal Chemistry Letters 11(9) . 10.1021/acsmedchemlett.9b00525. [PDB: 6uxy] CMCF-ID Health
Petrilli, Whitney L.; Adam, Gregory C.; Erdmann, Roman S.; Abeywickrema, Pravien; Agnani, Vijayalakshmi et al. (2020). From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chemical Biology 27(1) , 32-40. 10.1016/j.chembiol.2019.10.002. [PDB: 6u36] CMCF-ID Health
Ramasubramanian, Anusuya; Tennyson, Rachel; Magnay, Maureen; Kathuria, Sagar; Travaline, Tara et al. (2020). Bringing the Heavy Chain to Light: Creating a Symmetric, Bivalent IgG-Like Bispecific. Antibodies 9(4) , 62. 10.3390/antib9040062. [PDB: 7jkb] CMCF-ID Health
Stachel, Shawn J.; Ginnetti, Anthony T.; Johnson, Scott A.; Cramer, Paige; Wang, Yi et al. (2020). Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorganic and Medicinal Chemistry Letters 30(17) , 127403. 10.1016/j.bmcl.2020.127403. [PDB: 6x3l, 6x48] CMCF-ID Health
Zhou, Qun; Jaworski, Julie; Zhou, Yanfeng; Valente, Delphine; Cotton, Joanne et al. (2020). Engineered Fc-glycosylation switch to eliminate antibody effector function. mAbs 12(1) , 1814583. 10.1080/19420862.2020.1814583. [PDB: 6x3i] CMCF-ID Health
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