4WN1

Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one

4WN1 の概要

• エントリーDOI: 10.2210/pdb4wn1/pdb
• 分子名称: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: phosphodiesterase, complex, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q9Y233
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 79814.77

構造登録者

Amano, Y.,Honbou, K. (登録日: 2014-10-10, 公開日: 2014-12-31, 最終更新日: 2023-12-27)

• 主引用文献: Hamaguchi, W.,Masuda, N.,Miyamoto, S.,Shiina, Y.,Kikuchi, S.,Mihara, T.,Moriguchi, H.,Fushiki, H.,Murakami, Y.,Amano, Y.,Honbou, K.,Hattori, K.; Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition.; Bioorg.Med.Chem., 23:297-313, 2015; PubMed: 25515954; DOI: 10.1016/j.bmc.2014.11.039

実験手法

X-RAY DIFFRACTION (3.13 Å)