7MLQ
X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26)
Summary for 7MLQ
Entry DOI | 10.2210/pdb7mlq/pdb |
Descriptor | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, ... (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 | 15796.67 |
Authors | Cui, H.,Johnson, J.A.,Vail, N.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: 34236185DOI: 10.1021/acs.jmedchem.1c00933 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.32 Å) |
Structure validation
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