7K6G

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-IN-1

Summary for 7K6G

• Entry DOI: 10.2210/pdb7k6g/pdb
• Descriptor: Bromodomain-containing protein 4, 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: bet, erk5, dual brd-kinase inhibitor, gene regulation
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 32940.17

Authors

Karim, M.R.,Zhu, J.Y.,Schonbrunn, E. (deposition date: 2020-09-20, release date: 2021-09-29, 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; PubMed: 34710325; DOI: 10.1021/acs.jmedchem.1c01096

Experimental method

X-RAY DIFFRACTION (1.7 Å)