7WNI

Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158

Summary for 7WNI

• Entry DOI: 10.2210/pdb7wni/pdb
• Descriptor: Isoform 4 of Bromodomain-containing protein 2, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: brd2-bd2, bromodomain, inhibitor, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 33468.03

Authors

Li, J.,Zhang, C.,Xu, H.,Zhuang, X.,Wu, X.,Zhang, Y.,Xu, Y. (deposition date: 2022-01-18, 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 (3.12 Å)