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Structure paper

TitleOptimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 7016-7030, Year 2014
Publish dateJan 9, 2014 (structure data deposition date)
AuthorsLee, K.S. / Liu, J.Y. / Wagner, K.M. / Pakhomova, S. / Dong, H. / Morisseau, C. / Fu, S.H. / Yang, J. / Wang, P. / Ulu, A. ...Lee, K.S. / Liu, J.Y. / Wagner, K.M. / Pakhomova, S. / Dong, H. / Morisseau, C. / Fu, S.H. / Yang, J. / Wang, P. / Ulu, A. / Mate, C.A. / Nguyen, L.V. / Hwang, S.H. / Edin, M.L. / Mara, A.A. / Wulff, H. / Newcomer, M.E. / Zeldin, D.C. / Hammock, B.D.
External linksJ. Med. Chem. / PubMed:25079952
MethodsX-ray diffraction
Resolution2.92 - 2.94 Å
Structure data

PDB-4ocz:
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
Method: X-RAY DIFFRACTION / Resolution: 2.94 Å

PDB-4od0:
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Method: X-RAY DIFFRACTION / Resolution: 2.92 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MG:
Unknown entry

ChemComp-2RU:
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChemComp-HOH:
WATER

ChemComp-2RV:
1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / domain-swapped dimer / HYDROLASE-HYDROLASE INHIBITOR complex

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