5SEW

Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

Summary for 5SEW

Entry DOI	10.2210/pdb5sew/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	1
Total formula weight	40015.50
Authors	Joseph, C.,Rodriguez-Sarmiento, R.M.,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: 36153472 DOI: 10.1007/s10822-022-00478-x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation