4D08

PDE2a catalytic domain in complex with a brain penetrant inhibitor

4D08 の概要

• エントリーDOI: 10.2210/pdb4d08/pdb
• 関連するPDBエントリー: 4D09
• 分子名称: CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ZINC ION, 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, ... (5 entities in total)
• 機能のキーワード: hydrolase, binding sites, catalytic domain, cyclic nucleotide phosphodiesterases, type 2, type 4, disease models, animal, drug evaluation, preclinical, phosphodiesterase 2 inhibitors, phosphodiesterase inhibitors, protein binding, structure-activity relationship
• 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 (Probable): O00408
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 167818.43

構造登録者

Buijnsters, P.,Andres, J.I.,DeAngelis, M.,Langlois, X.,Rombouts, F.,Sanderson, W.,Tresadern, G.,Trabanco, A.,VanHoof, G.,VanRoosbroeck, Y. (登録日: 2014-04-24, 公開日: 2014-08-06, 最終更新日: 2024-05-01)

• 主引用文献: Buijnsters, P.,De Angelis, M.,Langlois, X.,Rombouts, F.J.R.,Sanderson, W.,Tresadern, G.,Ritchie, A.,Trabanco, A.A.,Vanhoof, G.,Roosbroeck, Y.V.,Andres, J.; Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.; Acs Med.Chem.Lett., 5:1049-, 2014; PubMed: 25221665; DOI: 10.1021/ML500262U

実験手法

X-RAY DIFFRACTION (1.9 Å)