8X73

Crystal structure of Peroxiredoxin I in complex with compound 19-069

8X73 の概要

• エントリーDOI: 10.2210/pdb8x73/pdb
• 分子名称: Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate (3 entities in total)
• 機能のキーワード: oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 39807.59

構造登録者

Zhang, H.,Luo, C. (登録日: 2023-11-22, 公開日: 2024-06-19, 最終更新日: 2025-12-03)

• 主引用文献: Li, Y.,Zhu, Y.,Shang, F.F.,Xu, L.,Jiang, D.,Sun, B.,Zhang, L.,Luo, C.,Zhang, A.,Zhang, H.,Ding, C.; Discovery of Urea Derivatives of Celastrol as Selective Peroxiredoxin 1 Inhibitors against Colorectal Cancer Cells; J.Med.Chem., 67:7176-7196, 2024; DOI: 10.1021/acs.jmedchem.4c00023

実験手法

X-RAY DIFFRACTION (1.61 Å)