7OKJ

Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b

7OKJ の概要

• エントリーDOI: 10.2210/pdb7okj/pdb
• 分子名称: B-cell lymphoma 6 protein, ALA-TRP-VAL-ILE-PRO-ALA, (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide, ... (7 entities in total)
• 機能のキーワード: cancer, lymphoma, inhibitor, transcription
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 16429.67

構造登録者

Collie, G.W.,Le Bihan, Y.-V.,van Montfort, R.L.M. (登録日: 2021-05-17, 公開日: 2021-12-08, 最終更新日: 2024-01-31)

• 主引用文献: Lloyd, M.G.,Huckvale, R.,Cheung, K.J.,Rodrigues, M.J.,Collie, G.W.,Pierrat, O.A.,Gatti Iou, M.,Carter, M.,Davis, O.A.,McAndrew, P.C.,Gunnell, E.,Le Bihan, Y.V.,Talbot, R.,Henley, A.T.,Johnson, L.D.,Hayes, A.,Bright, M.D.,Raynaud, F.I.,Meniconi, M.,Burke, R.,van Montfort, R.L.M.,Rossanese, O.W.,Bellenie, B.R.,Hoelder, S.; Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.; J.Med.Chem., 64:17079-17097, 2021; PubMed: 34846884; DOI: 10.1021/acs.jmedchem.1c00946

実験手法

X-RAY DIFFRACTION (1.43 Å)