5CPE
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Summary for 5CPE
Entry DOI | 10.2210/pdb5cpe/pdb |
Related | 5C0I 5CP5 5CQT 5CRM 5CRZ 5CS8 5CTL |
Descriptor | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, ... (4 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 | 17263.94 |
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
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