5CP5

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

Summary for 5CP5

• Entry DOI: 10.2210/pdb5cp5/pdb
• Related: 5COI 5CPE 5CQT 5CRM 5CRZ 5CS8 5CTL
• Descriptor: Bromodomain-containing protein 4, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: brd4, bromodomain, four alpha helices, transcription-transcr, 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: 17261.80

Authors

Zhang, Y.,Song, M.,Liu, Z.,Xue, X.,Xu, Y. (deposition date: 2015-07-21, release date: 2016-01-13, Last modification date: 2024-03-20)

• 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 (1.79 Å)