7K6H

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to XMD8-92

Summary for 7K6H

Entry DOI	10.2210/pdb7k6h/pdb
Descriptor	Bromodomain-containing protein 4, 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one (3 entities in total)
Functional Keywords	bet, erk5, dual brd-kinase inhibitor, gene regulation
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15573.93
Authors	Karim, M.R.,Zhu, J.Y.,Schonbrunn, E. (deposition date: 2020-09-20, release date: 2021-09-22, Last modification date: 2023-10-18)
Primary citation	Karim, R.M.,Bikowitz, M.J.,Chan, A.,Zhu, J.Y.,Grassie, D.,Becker, A.,Berndt, N.,Gunawan, S.,Lawrence, N.J.,Schonbrunn, E. Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64:15772-15786, 2021 Cited by PubMed: 34710325 DOI: 10.1021/acs.jmedchem.1c01096 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation