7SUI

Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22

7SUI の概要

• エントリーDOI: 10.2210/pdb7sui/pdb
• 分子名称: Serine/threonine-protein kinase Chk1, (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol (3 entities in total)
• 機能のキーワード: kinase, parkinson's disease, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 34637.58

構造登録者

Palte, R.L. (登録日: 2021-11-17, 公開日: 2022-01-12, 最終更新日: 2023-10-18)

• 主引用文献: Keylor, M.H.,Gulati, A.,Kattar, S.D.,Johnson, R.E.,Chau, R.W.,Margrey, K.A.,Ardolino, M.J.,Zarate, C.,Poremba, K.E.,Simov, V.,Morriello, G.J.,Acton, J.J.,Pio, B.,Yan, X.,Palte, R.L.,McMinn, S.E.,Nogle, L.,Lesburg, C.A.,Adpressa, D.,Lin, S.,Neelamkavil, S.,Liu, P.,Su, J.,Hegde, L.G.,Woodhouse, J.D.,Faltus, R.,Xiong, T.,Ciaccio, P.J.,Piesvaux, J.,Otte, K.M.,Wood, H.B.,Kennedy, M.E.,Bennett, D.J.,DiMauro, E.F.,Fell, M.J.,Fuller, P.H.; Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.; J.Med.Chem., 65:838-856, 2022; PubMed: 34967623; DOI: 10.1021/acs.jmedchem.1c01968

実験手法

X-RAY DIFFRACTION (2.119 Å)