4J03

Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant

4J03 の概要

• エントリーDOI: 10.2210/pdb4j03/pdb
• 分子名称: Bifunctional epoxide hydrolase 2, PHOSPHATE ION, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: domain-swapped dimer, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P34913
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 63411.66

構造登録者

Morisseau, C.,Pakhomova, S.,Hwang, S.H.,Newcomer, M.E.,Hammock, B.D. (登録日: 2013-01-30, 公開日: 2013-06-05, 最終更新日: 2023-09-20)

主引用文献

Morisseau, C.,Pakhomova, S.,Hwang, S.H.,Newcomer, M.E.,Hammock, B.D.
Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Bioorg.Med.Chem.Lett., 23:3818-3821, 2013

PubMed Abstract: The soluble epoxide hydrolase (sEH) is a key enzyme in the metabolism of epoxy-fatty acids, signaling molecules involved in numerous biologies. Toward finding novel inhibitors of sEH, a library of known drugs was tested for inhibition of sEH. We found that fulvestrant, an anticancer agent, is a potent (KI=26 nM) competitive inhibitor of sEH. From this observation, we found that alkyl-sulfoxides represent a new kind of pharmacophore for the inhibition of sEH.

PubMed: 23684894
DOI: 10.1016/j.bmcl.2013.04.083

実験手法

X-RAY DIFFRACTION (2.92 Å)