7CHT

Crystal structure of TTK kinase domain in complex with compound 30

7CHT の概要

• エントリーDOI: 10.2210/pdb7cht/pdb
• 分子名称: Dual specificity protein kinase TTK, 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: kinase mps1 ttk structure-guided drug design, transferase
• 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: 33388.47

構造登録者

Kim, H.L.,Cho, H.Y.,Park, Y.W.,Lee, Y.H.,Ko, E.H.,Choi, H.G.,Son, J.B.,Kim, N.D. (登録日: 2020-07-06, 公開日: 2021-05-12, 最終更新日: 2023-11-29)

• 主引用文献: Lee, Y.,Kim, H.,Kim, H.,Cho, H.Y.,Jee, J.G.,Seo, K.A.,Son, J.B.,Ko, E.,Choi, H.G.,Kim, N.D.,Kim, I.; X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.; J.Med.Chem., 64:6985-6995, 2021; PubMed: 33942608; DOI: 10.1021/acs.jmedchem.1c00542

実験手法

X-RAY DIFFRACTION (2.4 Å)