5U7I

PDE2 catalytic domain complexed with inhibitors

Summary for 5U7I

• Entry DOI: 10.2210/pdb5u7i/pdb
• Related: 5U7D 5U7J 5U7K 5U7L
• Descriptor: cGMP-dependent 3',5'-cyclic phosphodiesterase, 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine, ZINC ION, ... (5 entities in total)
• Functional Keywords: pde2, sbdd, inhibitor, phosphodiesterase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform PDE2A3: Cell membrane ; Lipid-anchor . Isoform PDE2A2: Mitochondrion matrix . Isoform PDE2A1: Cytoplasm . Isoform 5: Mitochondrion : O00408
• Total number of polymer chains: 4
• Total formula weight: 162729.04

Authors

Pandit, J. (deposition date: 2016-12-12, release date: 2017-06-28, Last modification date: 2023-10-04)

• Primary citation: Helal, C.J.,Arnold, E.P.,Boyden, T.L.,Chang, C.,Chappie, T.A.,Fennell, K.F.,Forman, M.D.,Hajos, M.,Harms, J.F.,Hoffman, W.E.,Humphrey, J.M.,Kang, Z.,Kleiman, R.J.,Kormos, B.L.,Lee, C.W.,Lu, J.,Maklad, N.,McDowell, L.,Mente, S.,O'Connor, R.E.,Pandit, J.,Piotrowski, M.,Schmidt, A.W.,Schmidt, C.J.,Ueno, H.,Verhoest, P.R.,Yang, E.X.; Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.; J. Med. Chem., 60:5673-5698, 2017; PubMed: 28574706; DOI: 10.1021/acs.jmedchem.7b00397

Experimental method

X-RAY DIFFRACTION (2 Å)