5D0C

Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand

Summary for 5D0C

• Entry DOI: 10.2210/pdb5d0c/pdb
• Related: 5COI 5CP5 5CPE 5CQT 5CRM 5CRZ 5CS8 5CTL 5CY9
• Descriptor: Bromodomain-containing protein 4, NITRATE ION, 1,2-ETHANEDIOL, ... (6 entities in total)
• Functional Keywords: brd4, bromodomain, four alpha helices, bromodomain binding inhibitor, signaling protein-inhibitor complex, signaling protein/inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 17585.08

Authors

Zhang, Y.,Song, M.,Liu, Z.,Xue, X.,Xu, Y. (deposition date: 2015-08-03, release date: 2016-01-13, Last modification date: 2023-11-29)

• Primary citation: Xue, X.,Zhang, Y.,Liu, Z.,Song, M.,Xing, Y.,Xiang, Q.,Wang, Z.,Tu, Z.,Zhou, Y.,Ding, K.,Xu, Y.; Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation; J.Med.Chem., 59:1565-1579, 2016; PubMed: 26731490; DOI: 10.1021/acs.jmedchem.5b01511

Experimental method

X-RAY DIFFRACTION (1.49 Å)