6FUI

Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol

6FUI の概要

• エントリーDOI: 10.2210/pdb6fui/pdb
• 分子名称: Complement factor D, (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid (3 entities in total)
• 機能のキーワード: serine protease, inhibitor, complex, hydrolase
• 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: 25130.59

構造登録者

Mac Sweeney, A.,Ostermann, N.,Vulpetti, A.,Maibaum, J.,Erbel, P.,Lorthiois, E.,Yoon, T.,Randl, S.,Ruedisser, S. (登録日: 2018-02-27, 公開日: 2018-06-06)

• 主引用文献: Vulpetti, A.,Ostermann, N.,Randl, S.,Yoon, T.,Mac Sweeney, A.,Cumin, F.,Lorthiois, E.,Rudisser, S.,Erbel, P.,Maibaum, J.; Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.; ACS Med Chem Lett, 9:490-495, 2018; PubMed: 29795765; DOI: 10.1021/acsmedchemlett.8b00104

実験手法

X-RAY DIFFRACTION (1.38 Å)