5C1W

PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine

Summary for 5C1W

• Entry DOI: 10.2210/pdb5c1w/pdb
• Related: 5C28 5C29 5C2A 5C2E 5C2H
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: phosphodiesterase, inhibitor, complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q9Y233
• Total number of polymer chains: 2
• Total formula weight: 83373.51

Authors

Yan, Y. (deposition date: 2015-06-15, release date: 2015-09-30, Last modification date: 2024-03-06)

• Primary citation: Shipe, W.D.,Sharik, S.S.,Barrow, J.C.,McGaughey, G.B.,Theberge, C.R.,Uslaner, J.M.,Yan, Y.,Renger, J.J.,Smith, S.M.,Coleman, P.J.,Cox, C.D.; Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.; J.Med.Chem., 58:7888-7894, 2015; PubMed: 26378882; DOI: 10.1021/acs.jmedchem.5b00983

Experimental method

X-RAY DIFFRACTION (1.7 Å)