9CE4

Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6

This is a non-PDB format compatible entry.

Summary for 9CE4

• Entry DOI: 10.2210/pdb9ce4/pdb
• Descriptor: Serine/threonine-protein kinase Chk1, (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: kinase, parkinson's disease, lrrk2, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 31781.12

Authors

Palte, R.L.,Zebisch, M.,Henry, C.,Barker, J.J. (deposition date: 2024-06-26, release date: 2024-09-18, Last modification date: 2024-10-02)

• Primary citation: Logan, K.M.,Kaplan, W.,Simov, V.,Zhou, H.,Li, D.,Torres, L.,Morriello, G.J.,Acton, J.J.,Pio, B.,Chen, Y.H.,Keylor, M.H.,Johnson, R.,Kattar, S.D.,Chau, R.,Yan, X.,Ardolino, M.,Zarate, C.,Otte, K.M.,Palte, R.L.,Xiong, T.,McMinn, S.E.,Lin, S.,Neelamkavil, S.F.,Liu, P.,Su, J.,Hegde, L.G.,Woodhouse, J.D.,Moy, L.Y.,Ciaccio, P.J.,Piesvaux, J.,Zebisch, M.,Henry, C.,Barker, J.,Wood, H.B.,Kennedy, M.E.,DiMauro, E.F.,Fell, M.J.,Fuller, P.H.; Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.; J.Med.Chem., 67:16807-16819, 2024; PubMed: 39231262; DOI: 10.1021/acs.jmedchem.4c01627

Experimental method

X-RAY DIFFRACTION (1.31 Å)