5FX6

Novel inhibitors of human rhinovirus 3C protease

5FX6 の概要

• エントリーDOI: 10.2210/pdb5fx6/pdb
• 関連するPDBエントリー: 5FX5
• 分子名称: RHINOVIRUS 3C PROTEASE, ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate (3 entities in total)
• 機能のキーワード: transferase
• 由来する生物種: HUMAN RHINOVIRUS 2 (HRV2)
• 細胞内の位置: Capsid protein VP0: Virion . Capsid protein VP4: Virion . Capsid protein VP2: Virion . Capsid protein VP3: Virion . Capsid protein VP1: Virion . Protein 2B: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 2C: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3A: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3AB: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Viral protein genome-linked: Virion . Protease 3C: Host cytoplasm . Protein 3CD: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . RNA-directed RNA polymerase: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side : P04936
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20735.51

構造登録者

Kawatkar, S.,Ek, M.,Hoesch, V.,Gagnon, M.,Nilsson, E.,Lister, T.,Olsson, L.,Patel, J.,Yu, Q. (登録日: 2016-02-24, 公開日: 2016-06-22, 最終更新日: 2024-01-10)

• 主引用文献: Kawatkar, S.P.,Gagnon, M.,Hoesch, V.,Tiong-Yip, C.,Johnson, K.,Ek, M.,Nilsson, E.,Lister, T.,Olsson, L.,Patel, J.,Yu, Q.; Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.; Bioorg.Med.Chem.Lett., 26:3248-, 2016; PubMed: 27265257; DOI: 10.1016/J.BMCL.2016.05.066

実験手法

X-RAY DIFFRACTION (1.45 Å)