4JIB

Crystal structure of of PDE2-inhibitor complex

Summary for 4JIB

• Entry DOI: 10.2210/pdb4jib/pdb
• Related: 3ITM
• Descriptor: cGMP-dependent 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: 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: 162941.29

Authors

Pandit, J. (deposition date: 2013-03-05, release date: 2013-05-01, Last modification date: 2024-02-28)

• Primary citation: Plummer, M.S.,Cornicelli, J.,Roark, H.,Skalitzky, D.J.,Stankovic, C.J.,Bove, S.,Pandit, J.,Goodman, A.,Hicks, J.,Shahripour, A.,Beidler, D.,Lu, X.K.,Sanchez, B.,Whitehead, C.,Sarver, R.,Braden, T.,Gowan, R.,Shen, X.Q.,Welch, K.,Ogden, A.,Sadagopan, N.,Baum, H.,Miller, H.,Banotai, C.,Spessard, C.,Lightle, S.; Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.; Bioorg.Med.Chem.Lett., 23:3438-3442, 2013; PubMed: 23582272; DOI: 10.1016/j.bmcl.2013.03.072

Experimental method

X-RAY DIFFRACTION (1.72 Å)