8WY7

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22

Summary for 8WY7

• Entry DOI: 10.2210/pdb8wy7/pdb
• Descriptor: Bromodomain-containing protein 4, 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide (3 entities in total)
• Functional Keywords: brd4(1), bromodomain, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 51956.93

Authors

Xu, H.,Zhao, X.,Shen, H.,Xu, Y.,Wu, X. (deposition date: 2023-10-30, release date: 2024-01-24, Last modification date: 2024-02-07)

• Primary citation: Jiang, W.,Hou, Q.,Xu, H.,Yang, K.,Wang, X.,Zhang, K.,Zeng, Y.,Li, W.,Wang, B.,Luo, G.,Zhao, X.,Shen, H.,Xu, Y.,Wu, X.; Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.; J.Med.Chem., 67:1513-1532, 2024; PubMed: 38175809; DOI: 10.1021/acs.jmedchem.3c02104

Experimental method

X-RAY DIFFRACTION (2.83 Å)