5U00

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

5U00 の概要

• エントリーDOI: 10.2210/pdb5u00/pdb
• 関連するPDBエントリー: 5TZ3 5TZA 5TZC 5TZH 5TZW 5TZX 5TZZ
• 分子名称: cGMP-dependent 3',5'-cyclic phosphodiesterase, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone, ZINC ION, ... (5 entities in total)
• 機能のキーワード: phosphodiesterase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform PDE2A3: Cell membrane ; Lipid-anchor . Isoform PDE2A2: Mitochondrion matrix . Isoform PDE2A1: Cytoplasm . Isoform 5: Mitochondrion : O00408
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 163036.04

構造登録者

Xu, R.,Aertgeerts, K. (登録日: 2016-11-22, 公開日: 2017-02-22, 最終更新日: 2024-03-06)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.41 Å)