6MAU

Crystal structure of human BRD4(1) in complex with CN210 (compound 19)

Summary for 6MAU

Entry DOI	10.2210/pdb6mau/pdb
Descriptor	Bromodomain-containing protein 4, 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, GLYCEROL, ... (4 entities in total)
Functional Keywords	brd4(1), protein binding
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15946.30
Authors	Nadupalli, A.,Fontano, E.,Connors, C.R.,Chan, S.G.,Olland, A.M.,Lakshminarasimhan, D.,White, A.,Suto, R.K. (deposition date: 2018-08-28, release date: 2019-04-03, Last modification date: 2024-03-13)
Primary citation	Yang, S.M.,Yoshioka, M.,Strovel, J.W.,Urban, D.J.,Hu, X.,Hall, M.D.,Jadhav, A.,Maloney, D.J. Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases. Bioorg. Med. Chem. Lett., 29:1220-1226, 2019 Cited by PubMed: 30905542 DOI: 10.1016/j.bmcl.2019.03.014 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.11 Å)

Structure validation