5OQ5
Structure of CHK1 8-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
Summary for 5OQ5
Entry DOI | 10.2210/pdb5oq5/pdb |
Related | 5OOP 5OOR 5OOT 5OP2 5OP4 5OP5 5OP7 5OPB 5OPR 5OPS 5OPU 5OPV |
Descriptor | Serine/threonine-protein kinase Chk1, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (4 entities in total) |
Functional Keywords | parkinson's disease, leucine-rich repeat kinase 2, lrrk2, checkpoint kinase 1, chk1, mutant, surrogate, kinase inhibitor, transferase |
Biological source | Homo sapiens (Human) |
Cellular location | Nucleus: O14757 |
Total number of polymer chains | 1 |
Total formula weight | 34814.11 |
Authors | Dokurno, P.,Williamson, D.S.,Acheson-Dossang, P.,Chen, I.,Murray, J.B.,Shaw, T.,Surgenor, A.E. (deposition date: 2017-08-10, release date: 2017-10-25, Last modification date: 2024-01-17) |
Primary citation | Williamson, D.S.,Smith, G.P.,Acheson-Dossang, P.,Bedford, S.T.,Chell, V.,Chen, I.J.,Daechsel, J.C.A.,Daniels, Z.,David, L.,Dokurno, P.,Hentzer, M.,Herzig, M.C.,Hubbard, R.E.,Moore, J.D.,Murray, J.B.,Newland, S.,Ray, S.C.,Shaw, T.,Surgenor, A.E.,Terry, L.,Thirstrup, K.,Wang, Y.,Christensen, K.V. Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60:8945-8962, 2017 Cited by PubMed: 29023112DOI: 10.1021/acs.jmedchem.7b01186 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.4 Å) |
Structure validation
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