5K1I

PDE4 crystal structure in complex with small molecule inhibitor

5K1I の概要

• エントリーDOI: 10.2210/pdb5k1i/pdb
• 分子名称: cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, ZINC ION, ... (5 entities in total)
• 機能のキーワード: phosphodiesterases, inhibitor, hydrolase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Apical cell membrane : Q08499
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 304365.61

構造登録者

Segarra, V.,Hernandez, B.,Ferrer-Miralles, N.,Korndoerfer, I.,Aymami, J. (登録日: 2016-05-18, 公開日: 2016-12-21, 最終更新日: 2024-01-10)

• 主引用文献: Gracia, J.,Buil, M.A.,Castro, J.,Eichhorn, P.,Ferrer, M.,Gavalda, A.,Hernandez, B.,Segarra, V.,Lehner, M.D.,Moreno, I.,Pages, L.,Roberts, R.S.,Serrat, J.,Sevilla, S.,Taltavull, J.,Andres, M.,Cabedo, J.,Vilella, D.,Calama, E.,Carcasona, C.,Miralpeix, M.; Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.; J. Med. Chem., 59:10479-10497, 2016; PubMed: 27933955; DOI: 10.1021/acs.jmedchem.6b00829

実験手法

X-RAY DIFFRACTION (2.61 Å)