5OJE

Endothiapepsin with Ligand VSK-B24

5OJE の概要

• エントリーDOI: 10.2210/pdb5oje/pdb
• 分子名称: Endothiapepsin, (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, ... (7 entities in total)
• 機能のキーワード: protein templated dcc, bioisostere, inhibitor, endothiapepsin, peptide binding protein, hydrolase
• 由来する生物種: Cryphonectria parasitica (Chestnut blight fungus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34579.79

構造登録者

Gierse, R.M.,Magari, F.,Groves, M.R.,Heine, A.,Klebe, G.,Hirsch, A. (登録日: 2017-07-21, 公開日: 2018-09-12, 最終更新日: 2018-11-21)

• 主引用文献: Jumde, V.R.,Mondal, M.,Gierse, R.M.,Unver, M.Y.,Magari, F.,van Lier, R.C.W.,Heine, A.,Klebe, G.,Hirsch, A.K.H.; Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.; ChemMedChem, 13:2266-2270, 2018; PubMed: 30178575; DOI: 10.1002/cmdc.201800446

実験手法

X-RAY DIFFRACTION (1.579 Å)