7LAI

Crystal structure of the first bromodomain (BD1) of human BRD2 bound to BI2536

Summary for 7LAI

Entry DOI	10.2210/pdb7lai/pdb
Descriptor	Bromodomain-containing protein 2, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (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	14993.52
Authors	Karim, M.R.,Bikowitz, M.,Schonbrunn, E. (deposition date: 2021-01-06, release date: 2021-08-11, 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 (1.85 Å)

Structure validation