7MR7

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075

Summary for 7MR7

Entry DOI	10.2210/pdb7mr7/pdb
Descriptor	Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, ... (4 entities in total)
Functional Keywords	bromosporine, brd4, brd, bet, gene regulation
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	31759.97
Authors	Chan, A.,Schonbrunn, E. (deposition date: 2021-05-07, release date: 2022-05-11, 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: 35867655 DOI: 10.1021/acs.jmedchem.2c00453 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation