7MLS

X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23)

Summary for 7MLS

Entry DOI	10.2210/pdb7mls/pdb
Descriptor	Bromodomain-containing protein 4, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	brd4, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15787.62
Authors	Cui, H.,Johnson, J.A.,Zahid, H.,Buchholz, C.R.,Shi, K.,Aihara, H.,Pomerantz, W.C.K. (deposition date: 2021-04-28, release date: 2021-07-28, Last modification date: 2023-10-18)
Primary citation	Cui, H.,Carlson, A.S.,Schleiff, M.A.,Divakaran, A.,Johnson, J.A.,Buchholz, C.R.,Zahid, H.,Vail, N.R.,Shi, K.,Aihara, H.,Harki, D.A.,Miller, G.P.,Topczewski, J.J.,Pomerantz, W.C.K. 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64:10497-10511, 2021 Cited by PubMed: 34236185 DOI: 10.1021/acs.jmedchem.1c00933 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.26 Å)

Structure validation