7BK1
Crystal structure of CHK1-10pt-mutant complex with compound 32
Summary for 7BK1
Entry DOI | 10.2210/pdb7bk1/pdb |
Related | 7bjd 7bje 7bjh 7bjj 7bjm 7bjo 7bjr 7bjx |
Descriptor | Serine/threonine-protein kinase Chk1, 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, ... (4 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 | 1 |
Total formula weight | 34530.55 |
Authors | Dokurno, P.,Surgenor, A.E.,Williamson, D.S. (deposition date: 2021-01-15, 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: 34184879DOI: 10.1021/acs.jmedchem.1c00720 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
Download full validation report