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Structure paper

TitleAntitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 3052-3060, Year 2016
Publish dateFeb 13, 2014 (structure data deposition date)
AuthorsUddin, M.J. / Crews, B.C. / Xu, S. / Ghebreselasie, K. / Daniel, C.K. / Kingsley, P.J. / Banerjee, S. / Marnett, L.J.
External linksAcs Chem. Biol. / PubMed:27588346
MethodsX-ray diffraction
Resolution2.11 Å
Structure data

PDB-4otj:
The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

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

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-IXP:
(5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate

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

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsOxidoreductase/Oxidoreductase inhibitor / OXIDOREDUCTASE / NSAIDs / GLYCOSYLATION / Membrane / Oxidoreductase-Oxidoreductase inhibitor complex

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