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TitleDual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
Journal, issue, pagesJ. Biol. Chem., Vol. 293, Page 3028-3038, Year 2018
Publish dateJun 14, 2017 (structure data deposition date)
AuthorsGoodman, M.C. / Xu, S. / Rouzer, C.A. / Banerjee, S. / Ghebreselasie, K. / Migliore, M. / Piomelli, D. / Marnett, L.J.
External linksJ. Biol. Chem. / PubMed:29326169
MethodsX-ray diffraction
Resolution2.267 Å
Structure data

PDB-5w58:
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
Method: X-RAY DIFFRACTION / Resolution: 2.267 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-FF8:
(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE/INHIBITOR / cyclooxygenase / protein-inhibitor complex / prostaglandin / FAAH-COX dual inhibition / OXIDOREDUCTASE / OXIDOREDUCTASE-INHIBITOR complex

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