7LA9
Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with bivalent inhibitor NC-III-49-1
Summary for 7LA9
Entry DOI | 10.2210/pdb7la9/pdb |
Descriptor | Bromodomain-containing protein 4, N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide), 1,2-ETHANEDIOL, ... (7 entities in total) |
Functional Keywords | bet, erk5, dual brd-kinase inhibitor, transcription-transcription inhibitor complex, transcription/transcription inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 6 |
Total formula weight | 93193.37 |
Authors | Karim, M.R.,Schonbrunn, E. (deposition date: 2021-01-06, release date: 2022-01-12, Last modification date: 2023-10-18) |
Primary citation | Guan, X.,Cheryala, N.,Karim, R.M.,Chan, A.,Berndt, N.,Qi, J.,Georg, G.I.,Schonbrunn, E. Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65:10441-10458, 2022 Cited by PubMed: 35867655DOI: 10.1021/acs.jmedchem.2c00453 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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