6FS1

MCL1 in complex with an indole acid ligand

6FS1 の概要

• エントリーDOI: 10.2210/pdb6fs1/pdb
• 分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: mcl1, indole acid, immune system
• 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: 35484.50

構造登録者

Kasmirski, S.,Hargreaves, D. (登録日: 2018-02-18, 公開日: 2018-12-26)

• 主引用文献: Tron, A.E.,Belmonte, M.A.,Adam, A.,Aquila, B.M.,Boise, L.H.,Chiarparin, E.,Cidado, J.,Embrey, K.J.,Gangl, E.,Gibbons, F.D.,Gregory, G.P.,Hargreaves, D.,Hendricks, J.A.,Johannes, J.W.,Johnstone, R.W.,Kazmirski, S.L.,Kettle, J.G.,Lamb, M.L.,Matulis, S.M.,Nooka, A.K.,Packer, M.J.,Peng, B.,Rawlins, P.B.,Robbins, D.W.,Schuller, A.G.,Su, N.,Yang, W.,Ye, Q.,Zheng, X.,Secrist, J.P.,Clark, E.A.,Wilson, D.M.,Fawell, S.E.,Hird, A.W.; Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.; Nat Commun, 9:5341-5341, 2018; PubMed: 30559424; DOI: 10.1038/s41467-018-07551-w

実験手法

X-RAY DIFFRACTION (1.6 Å)