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Structure paper

TitleDiscovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 1211-1222, Year 2011
Publish dateOct 22, 2010 (structure data deposition date)
AuthorsXing, L. / McDonald, J.J. / Kolodziej, S.A. / Kurumbail, R.G. / Williams, J.M. / Warren, C.J. / O'Neal, J.M. / Skepner, J.E. / Roberds, S.L.
External linksJ. Med. Chem. / PubMed:21302953
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-3pdc:
Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ZYI:
N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / epoxide hydrolase / hydrolase / hypertension / beta barrel / alpha/beta hydrolase fold; epoxide hydrolase fold / Acts on epoxides (alkene oxides / oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. Also determines steady-state levels of physiological mediators. Has low phosphatase activity / Binds Mg2+ / Acetylation of lysine / cytoplasm; peroxisome / HYDROLASE-HYDROLASE INHIBITOR complex

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