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5SE6

Crystal Structure of human phosphodiesterase 10 in complex with 2,9-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]purine

Summary for 5SE6
Entry DOI10.2210/pdb5se6/pdb
Group depositionExploiting Structural Data for Improved On-Target Prediction in Lead Optimization (G_1002226)
DescriptorcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
Functional Keywordsphosphodiesterase, pde10, hydrolase, schizophrenia, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains4
Total formula weight159349.17
Authors
Joseph, C.,Groebke-Zbinden, K.,Benz, J.,Schlatter, D.,Rudolph, M.G. (deposition date: 2022-01-21, release date: 2022-10-12, Last modification date: 2024-04-03)
Primary citationTosstorff, 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: 36153472
DOI: 10.1007/s10822-022-00478-x
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.95 Å)
Structure validation

221051

건을2024-06-12부터공개중

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