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Structure paper

TitleOxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
Journal, issue, pagesJ. Biol. Chem., Vol. 289, Page 6799-6808, Year 2014
Publish dateAug 2, 2013 (structure data deposition date)
AuthorsXu, S. / Hermanson, D.J. / Banerjee, S. / Ghebreselasie, K. / Clayton, G.M. / Garavito, R.M. / Marnett, L.J.
External linksJ. Biol. Chem. / PubMed:24425867
MethodsX-ray diffraction
Resolution2.01 - 2.45 Å
Structure data

PDB-4m10:
Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-4m11:
Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-4o1z:
Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-ICD:
4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide / antiinflammatory*YM

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

ChemComp-HOH:
WATER

ChemComp-MXM:
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide / antiinflammatory*YM

Source
  • mus musculus (house mouse)
  • ovis aries (sheep)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / NSAID / COX / dioxygenase / peroxidase / glycosylation / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / NSAIDs / Membrane

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