7BJX

Crystal structure of CHK1-10pt-mutant complex with compound 26

Summary for 7BJX

Entry DOI	10.2210/pdb7bjx/pdb
Related	7bjd 7bje 7bjh 7bjj 7bjm 7bjo 7bjr
Descriptor	Serine/threonine-protein kinase Chk1, 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (3 entities in total)
Functional Keywords	parkinson's disease, leucine-rich repeat kinase 2, lrrk2, checkpoint kinase 1, chk1, mutant, surrogate, kinase inhibitor, sbdd, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	68891.23
Authors	Dokurno, P.,Surgenor, A.E.,Williamson, D.S. (deposition date: 2021-01-14, release date: 2021-07-07, Last modification date: 2024-01-31)
Primary citation	Williamson, D.S.,Smith, G.P.,Mikkelsen, G.K.,Jensen, T.,Acheson-Dossang, P.,Badolo, L.,Bedford, S.T.,Chell, V.,Chen, I.J.,Dokurno, P.,Hentzer, M.,Newland, S.,Ray, S.C.,Shaw, T.,Surgenor, A.E.,Terry, L.,Wang, Y.,Christensen, K.V. Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64:10312-10332, 2021 Cited by PubMed: 34184879 DOI: 10.1021/acs.jmedchem.1c00720 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation