8SIW

Structure of Compound 5 bound to the CHK1 10-point mutant

8SIW の概要

• エントリーDOI: 10.2210/pdb8siw/pdb
• 分子名称: Serine/threonine-protein kinase Chk1, (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide (3 entities in total)
• 機能のキーワード: lrrk2, parkinson's, kinase, transferase
• 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: 69208.47

構造登録者

Palte, R.L. (登録日: 2023-04-17, 公開日: 2023-11-01, 最終更新日: 2023-11-15)

• 主引用文献: Kattar, S.D.,Gulati, A.,Margrey, K.A.,Keylor, M.H.,Ardolino, M.,Yan, X.,Johnson, R.,Palte, R.L.,McMinn, S.E.,Nogle, L.,Su, J.,Xiao, D.,Piesvaux, J.,Lee, S.,Hegde, L.G.,Woodhouse, J.D.,Faltus, R.,Moy, L.Y.,Xiong, T.,Ciaccio, P.J.,Pearson, K.,Patel, M.,Otte, K.M.,Leyns, C.E.G.,Kennedy, M.E.,Bennett, D.J.,DiMauro, E.F.,Fell, M.J.,Fuller, P.H.; Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.; J.Med.Chem., 66:14912-14927, 2023; PubMed: 37861679; DOI: 10.1021/acs.jmedchem.3c01486

実験手法

X-RAY DIFFRACTION (1.877 Å)