7BJD
Crystal structure of CHK1-10pt-mutant complex with compound 3
Summary for 7BJD
Entry DOI | 10.2210/pdb7bjd/pdb |
Descriptor | Serine/threonine-protein kinase Chk1, 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, 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 | 34504.43 |
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: 34184879DOI: 10.1021/acs.jmedchem.1c00720 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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