6OEX

Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine

6OEX の概要

• エントリーDOI: 10.2210/pdb6oex/pdb
• 分子名称: Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (6 entities in total)
• 機能のキーワード: trypanosoma, trypanothione, inhibitor, sleeping sickness, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 110431.33

構造登録者

Halgas, O.,De Gasparo, R.,Harangozo, D.,Krauth-Siegel, R.L.,Diederich, F.,Pai, E.F. (登録日: 2019-03-28, 公開日: 2019-07-31, 最終更新日: 2023-10-11)

• 主引用文献: De Gasparo, R.,Halgas, O.,Harangozo, D.,Kaiser, M.,Pai, E.F.,Krauth-Siegel, R.L.,Diederich, F.; Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.; Chemistry, 25:11416-11421, 2019; PubMed: 31407832; DOI: 10.1002/chem.201901664

実験手法

X-RAY DIFFRACTION (2.1 Å)