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Structure paper

TitleStructural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
Journal, issue, pagesJ. Biol. Chem., Vol. 282, Page 28096-28105, Year 2007
Publish dateFeb 21, 2007 (structure data deposition date)
AuthorsHarman, C.A. / Turman, M.V. / Kozak, K.R. / Marnett, L.J. / Smith, W.L. / Garavito, R.M.
External linksJ. Biol. Chem. / PubMed:17656360
MethodsX-ray diffraction
Resolution2.7 - 2.85 Å
Structure data

PDB-2oye:
Indomethacin-(R)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-2oyu:
Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

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

ChemComp-FLC:
CITRATE ANION

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-IM8:
2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE

ChemComp-HOH:
WATER

ChemComp-IMS:
2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE

Source
  • ovis aries (sheep)
KeywordsOXIDOREDUCTASE / COX / PGHS / indomethacin / NSAID / heme

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