Publication Beamlines Strategic Pillar
Gavai, Ashvinikumar V.; Norris, Derek; Delucca, George; Tortolani, David; Tokarski, John S. et al. (2021). Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. Journal of Medicinal Chemistry 64(19) . 10.1021/acs.jmedchem.1c00625. [PDB: 5s9r] CMCF-ID Health
Kumar, Amit; Paul, Marilyn; Panda, Manoranjan; Jayaram, Shruthi; Kalidindi, Narasimharaju et al. (2021). Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology 31(10) . 10.1093/glycob/cwab072. [PDB: 7cxa] CMCF-ID Health
Schulte, Christie A.; Deaton, David N.; Diaz, Elsie; Do, Young; Gampe, Robert T. et al. (2021). A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorganic and Medicinal Chemistry Letters 47, 128113. 10.1016/j.bmcl.2021.128113. [PDB: 7jr6] CMCF-ID Health
Kuduk, S.D.; Stoops, B.; Alexander, R.; Lam, A.M.; Espiritu, C. et al. (2021). CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION. Protein Data Bank: 7k5m. CMCF-ID Health
Mao, Z.W.; Xia, W.; Tao, X. (2021). The crystal structure of SARS-CoV-2 3CLpro with Zinc. Protein Data Bank: 7d64. CMCF-BM, CMCF-ID Health
Sheriff, S. (2021). CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol. Protein Data Bank: 5s9r. CMCF-ID Health
Sheriff, S. (2021). CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol. Protein Data Bank: 7mce. CMCF-ID Health