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)
7MLS の概要
エントリーDOI | 10.2210/pdb7mls/pdb |
分子名称 | 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) |
機能のキーワード | brd4, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor |
由来する生物種 | Homo sapiens (Human) |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 15787.62 |
構造登録者 | Cui, H.,Johnson, J.A.,Zahid, H.,Buchholz, C.R.,Shi, K.,Aihara, H.,Pomerantz, W.C.K. (登録日: 2021-04-28, 公開日: 2021-07-28, 最終更新日: 2023-10-18) |
主引用文献 | 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 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.26 Å) |
構造検証レポート
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