8SIX

Structure of Compound 13 bound to the CHK1 10-point mutant

Summary for 8SIX

Entry DOI	10.2210/pdb8six/pdb
Descriptor	Serine/threonine-protein kinase Chk1, (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide (3 entities in total)
Functional Keywords	lrrk2, parkinson's, kinase, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	34595.22
Authors	Palte, R.L. (deposition date: 2023-04-17, release date: 2023-11-01, Last modification date: 2023-11-15)
Primary citation	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 Cited by PubMed: 37861679 DOI: 10.1021/acs.jmedchem.3c01486 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation