3DDU

Prolyl Oligopeptidase with GSK552

3DDU の概要

• エントリーDOI: 10.2210/pdb3ddu/pdb
• 分子名称: Prolyl endopeptidase, ACETATE ION, (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one, ... (5 entities in total)
• 機能のキーワード: pop, prolyl oligopeptidase, endopeptidase, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P48147
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 81455.20

構造登録者

Madauss, K.P.,Reid, R.A.,Haffner, C.D.,Miller, A.B. (登録日: 2008-06-06, 公開日: 2008-08-19, 最終更新日: 2024-02-21)

主引用文献

Haffner, C.D.,Diaz, C.J.,Miller, A.B.,Reid, R.A.,Madauss, K.P.,Hassell, A.,Hanlon, M.H.,Porter, D.J.,Becherer, J.D.,Carter, L.H.
Pyrrolidinyl pyridone and pyrazinone analogues as potent inhibitors of prolyl oligopeptidase (POP)
Bioorg.Med.Chem.Lett., 18:4360-4363, 2008

PubMed Abstract: We report the synthesis and in vitro activity of a series of novel pyrrolidinyl pyridones and pyrazinones as potent inhibitors of prolyl oligopeptidase (POP). Within this series, compound 39 was co-crystallized within the catalytic site of a human chimeric POP protein which provided a more detailed understanding of how these inhibitors interacted with the key residues within the catalytic pocket.

PubMed: 18606544
DOI: 10.1016/j.bmcl.2008.06.067

実験手法

X-RAY DIFFRACTION (1.56 Å)