7MCK

Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18

Summary for 7MCK

• Entry DOI: 10.2210/pdb7mck/pdb
• Descriptor: Serine/threonine-protein kinase Chk1, N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide (3 entities in total)
• Functional Keywords: kinase, parkinsons disease, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34568.69

Authors

Palte, R. (deposition date: 2021-04-02, release date: 2021-06-16, Last modification date: 2023-10-18)

• Primary citation: Gulati, A.,Yeung, C.S.,Lapointe, B.,Kattar, S.D.,Gunaydin, H.,Scott, J.D.,Childers, K.K.,Methot, J.L.,Simov, V.,Kurukulasuriya, R.,Pio, B.,Morriello, G.J.,Liu, P.,Tang, H.,Neelamkavil, S.,Wood, H.B.,Rada, V.L.,Ardolino, M.J.,Yan, X.C.,Palte, R.,Otte, K.,Faltus, R.,Woodhouse, J.,Hegde, L.G.,Ciaccio, P.,Minnihan, E.C.,DiMauro, E.F.,Fell, M.J.,Fuller, P.H.,Ellis, J.M.; Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.; Rsc Med Chem, 12:1164-1173, 2021; PubMed: 34355182; DOI: 10.1039/d1md00097g

Experimental method

X-RAY DIFFRACTION (1.65 Å)