6BW2

Mcl-1 complexed with small molecules

6BW2 の概要

• エントリーDOI: 10.2210/pdb6bw2/pdb
• 分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid (3 entities in total)
• 機能のキーワード: mcl-1 inhibitor, cancer, structure-based design, drug discovery, apoptosis
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 74474.31

構造登録者

Zhao, B. (登録日: 2017-12-14, 公開日: 2018-01-31, 最終更新日: 2023-10-04)

• 主引用文献: Shaw, S.,Bian, Z.,Zhao, B.,Tarr, J.C.,Veerasamy, N.,Jeon, K.O.,Belmar, J.,Arnold, A.L.,Fogarty, S.A.,Perry, E.,Sensintaffar, J.L.,Camper, D.V.,Rossanese, O.W.,Lee, T.,Olejniczak, E.T.,Fesik, S.W.; Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.; J. Med. Chem., 61:2410-2421, 2018; PubMed: 29323899; DOI: 10.1021/acs.jmedchem.7b01155

実験手法

X-RAY DIFFRACTION (2.75 Å)