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Structure paper

TitleFluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
Journal, issue, pagesJ. Biol. Chem., Vol. 294, Page 8690-8698, Year 2019
Publish dateNov 9, 2017 (structure data deposition date)
AuthorsXu, S. / Uddin, M.J. / Banerjee, S. / Duggan, K. / Musee, J. / Kiefer, J.R. / Ghebreselasie, K. / Rouzer, C.A. / Marnett, L.J.
External linksJ. Biol. Chem. / PubMed:31000626
MethodsX-ray diffraction
Resolution2.217 - 2.22 Å
Structure data

PDB-6bl3:
Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate
Method: X-RAY DIFFRACTION / Resolution: 2.217 Å

PDB-6bl4:
Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

Chemicals

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

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-L7M:
2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide

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

ChemComp-HOH:
WATER

ChemComp-DXS:
2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide

Source
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE/INHIBITOR / cyclooxygenase-2 / fluorescent inhibitor complex / OXIDOREDUCTASE-INHIBITOR complex / protein-inhibitor complex / fluorescent inhibitor / MEMBRANE PROTEIN

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