3SHY

Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors

3SHY の概要

• エントリーDOI: 10.2210/pdb3shy/pdb
• 関連するPDBエントリー: 1T9R 3SHZ 3SIE
• 分子名称: cGMP-specific 3',5'-cyclic phosphodiesterase, 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, ZINC ION, ... (5 entities in total)
• 機能のキーワード: pde5a inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40667.93

構造登録者

Chen, T.T.,Chen, T.,Xu, Y.C. (登録日: 2011-06-17, 公開日: 2011-08-24, 最終更新日: 2024-03-20)

• 主引用文献: Xu, Z.,Liu, Z.,Chen, T.,Chen, T.T.,Wang, Z.,Tian, G.,Shi, J.,Wang, X.,Lu, Y.,Yan, X.,Wang, G.,Jiang, H.,Chen, K.,Wang, S.,Xu, Y.,Shen, J.,Zhu, W.; Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.; J.Med.Chem., 54:5607-5611, 2011; PubMed: 21714539; DOI: 10.1021/jm200644r

実験手法

X-RAY DIFFRACTION (2.647 Å)