7SUJ

Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24

Summary for 7SUJ

• Entry DOI: 10.2210/pdb7suj/pdb
• Descriptor: Serine/threonine-protein kinase Chk1, (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol (3 entities in total)
• Functional Keywords: kinase, parkinson's disease, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 69226.39

Authors

Palte, R.L. (deposition date: 2021-11-17, release date: 2022-01-12, Last modification date: 2023-10-18)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.299 Å)