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; PubMed: 35867655; DOI: 10.1021/acs.jmedchem.2c00453

Experimental method

X-RAY DIFFRACTION (2.2 Å)