5DX4
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Summary for 5DX4
Entry DOI | 10.2210/pdb5dx4/pdb |
Related | 5CY9 |
Descriptor | Bromodomain-containing protein 4, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | brd4, bromodomain, four alpha helices, 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 | 15626.76 |
Authors | |
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 Cited by PubMed: 26731490DOI: 10.1021/acs.jmedchem.5b01511 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
Download full validation report