5SDV
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-N-(1,3-oxazol-4-ylmethyl)-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide
Summary for 5SDV
| Entry DOI | 10.2210/pdb5sdv/pdb |
| Group deposition | Exploiting Structural Data for Improved On-Target Prediction in Lead Optimization (G_1002226) |
| Descriptor | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total) |
| Functional Keywords | phosphodiesterase, pde10, hydrolase, schizophrenia, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 4 |
| Total formula weight | 159781.39 |
| Authors | Joseph, C.,Peters, J.U.,Benz, J.,Schlatter, D.,Rudolph, M.G. (deposition date: 2022-01-21, release date: 2022-10-12, Last modification date: 2024-04-03) |
| Primary citation | Tosstorff, A.,Rudolph, M.G.,Cole, J.C.,Reutlinger, M.,Kramer, C.,Schaffhauser, H.,Nilly, A.,Flohr, A.,Kuhn, B. A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36:753-765, 2022 Cited by PubMed: 36153472DOI: 10.1007/s10822-022-00478-x PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.15 Å) |
Structure validation
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