5OQ6

Structure of CHK1 12-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor

5OQ6 の概要

• エントリーDOI: 10.2210/pdb5oq6/pdb
• 関連するPDBエントリー: 5OOP 5OOR 5OOT 5OP2 5OP5 5OP7 5OPB 5OPR 5OPU 5OPV 5OQ5
• 分子名称: Serine/threonine-protein kinase Chk1, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: parkinson's disease, leucine-rich repeat kinase 2, lrrk2, checkpoint kinase 1, chk1, mutant, surrogate, kinase inhibitor, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus: O14757
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34700.35

構造登録者

Dokurno, P.,Williamson, D.S.,Acheson-Dossang, P.,Chen, I.,Murray, J.B.,Shaw, T.,Surgenor, A.E. (登録日: 2017-08-10, 公開日: 2017-10-25, 最終更新日: 2024-01-17)

• 主引用文献: Williamson, D.S.,Smith, G.P.,Acheson-Dossang, P.,Bedford, S.T.,Chell, V.,Chen, I.J.,Daechsel, J.C.A.,Daniels, Z.,David, L.,Dokurno, P.,Hentzer, M.,Herzig, M.C.,Hubbard, R.E.,Moore, J.D.,Murray, J.B.,Newland, S.,Ray, S.C.,Shaw, T.,Surgenor, A.E.,Terry, L.,Thirstrup, K.,Wang, Y.,Christensen, K.V.; Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).; J. Med. Chem., 60:8945-8962, 2017; PubMed: 29023112; DOI: 10.1021/acs.jmedchem.7b01186

実験手法

X-RAY DIFFRACTION (1.95 Å)