7WKY

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153

Summary for 7WKY

• Entry DOI: 10.2210/pdb7wky/pdb
• Descriptor: Bromodomain-containing protein 4, 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: brd4, bromodomain, inhibitor, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 52521.46

Authors

Li, J.,Zhang, C.,Xu, H.,Zhuang, X.,Wu, X.,Zhang, Y.,Xu, Y. (deposition date: 2022-01-12, release date: 2022-08-10, Last modification date: 2023-11-29)

• Primary citation: Li, J.,Zhang, C.,Xu, H.,Wang, C.,Dong, R.,Shen, H.,Zhuang, X.,Chen, X.,Li, Q.,Lu, J.,Zhang, M.,Wu, X.,Loomes, K.M.,Zhou, Y.,Zhang, Y.,Liu, J.,Xu, Y.; Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.; J.Med.Chem., 65:5760-5799, 2022; PubMed: 35333526; DOI: 10.1021/acs.jmedchem.2c00100

Experimental method

X-RAY DIFFRACTION (2.83 Å)