5TZX

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-chloro-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine

Summary for 5TZX

• Entry DOI: 10.2210/pdb5tzx/pdb
• Related: 5TZ3 5TZA 5TZC 5TZH 5TZW 5TZZ 5U00
• Descriptor: cGMP-dependent 3',5'-cyclic phosphodiesterase, (3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, ZINC ION, ... (5 entities in total)
• Functional Keywords: 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: 162670.23

Authors

Xu, R.,Aertgeerts, K. (deposition date: 2016-11-22, release date: 2017-02-22, Last modification date: 2024-03-06)

• Primary citation: Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.; Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.; J. Med. Chem., 60:2037-2051, 2017; PubMed: 28165743; DOI: 10.1021/acs.jmedchem.6b01793

Experimental method

X-RAY DIFFRACTION (1.9 Å)