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TitleStructural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Journal, issue, pagesEur J Med Chem, Vol. 138, Page 661-668, Year 2017
Publish dateDec 9, 2016 (structure data deposition date)
AuthorsCingolani, G. / Panella, A. / Perrone, M.G. / Vitale, P. / Di Mauro, G. / Fortuna, C.G. / Armen, R.S. / Ferorelli, S. / Smith, W.L. / Scilimati, A.
External linksEur J Med Chem / PubMed:28710965
MethodsX-ray diffraction
Resolution2.75 - 2.93 Å
Structure data

PDB-5u6x:
COX-1:P6 COMPLEX STRUCTURE
Method: X-RAY DIFFRACTION / Resolution: 2.93 Å

PDB-5wbe:
COX-1:MOFEZOLAC COMPLEX STRUCTURE
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-P6A:
3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole

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

ChemComp-63X:
Mofezolac / antiinflammatory*YM

ChemComp-HOH:
WATER

Source
  • ovis aries (sheep)
KeywordsOXIDOREDUCTASE / COX-1 / CYCLOOXYGENASE / PEROXIDASE / PROSTAGLANDIN / HEME / P6 / oxidoreductase/oxidoreductase inhibitor / MOFEZOLAC / oxidoreductase-oxidoreductase inhibitor complex

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