5CS8
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Summary for 5CS8
Entry DOI | 10.2210/pdb5cs8/pdb |
Related | 5COI 5CP5 5CPE 5CQT 5CRM 5CRZ 5CTL |
Descriptor | Bromodomain-containing protein 4, methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate, NITRATE ION, ... (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 | 17764.26 |
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 (1.62 Å) |
Structure validation
Download full validation report