6CQ1

BCL6 BTB domain in complex with 15a

6CQ1 の概要

• エントリーDOI: 10.2210/pdb6cq1/pdb
• 分子名称: B-cell lymphoma 6 protein, 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide (3 entities in total)
• 機能のキーワード: protein protein inhibitor, protein binding, protein binding-inhibitor complex, protein binding/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30924.10

構造登録者

Linhares, B.M.,Cheng, H.,Xue, F.,Cierpicki, T. (登録日: 2018-03-14, 公開日: 2019-03-20, 最終更新日: 2023-10-04)

• 主引用文献: Cheng, H.,Linhares, B.M.,Yu, W.,Cardenas, M.G.,Ai, Y.,Jiang, W.,Winkler, A.,Cohen, S.,Melnick, A.,MacKerell Jr., A.,Cierpicki, T.,Xue, F.; Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.; J.Med.Chem., 61:7573-7588, 2018; PubMed: 29969259; DOI: 10.1021/acs.jmedchem.8b00040

実験手法

X-RAY DIFFRACTION (1.69921037793 Å)