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TitleAction at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
Journal, issue, pagesJ. Biol. Chem., Vol. 290, Page 12793-12803, Year 2015
Publish dateNov 6, 2014 (structure data deposition date)
AuthorsBlobaum, A.L. / Xu, S. / Rowlinson, S.W. / Duggan, K.C. / Banerjee, S. / Kudalkar, S.N. / Birmingham, W.R. / Ghebreselasie, K. / Marnett, L.J.
External linksJ. Biol. Chem. / PubMed:25825493
MethodsX-ray diffraction
Resolution2.429 - 2.807 Å
Structure data

PDB-4rrw:
Crystal Structure of Apo Murine Cyclooxygenase-2
Method: X-RAY DIFFRACTION / Resolution: 2.569 Å

PDB-4rrx:
Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-4rry:
Crystal Structure of Apo Murine H90W Cyclooxygenase-2
Method: X-RAY DIFFRACTION / Resolution: 2.429 Å

PDB-4rrz:
Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib
Method: X-RAY DIFFRACTION / Resolution: 2.569 Å

PDB-4rs0:
Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen
Method: X-RAY DIFFRACTION / Resolution: 2.807 Å

Chemicals

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

ChemComp-LUR:
{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid / antiinflammatory, inhibitor*YM

ChemComp-HOH:
WATER

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

ChemComp-IBP:
IBUPROFEN / antiinflammatory, medication*YM

Source
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE / prostaglandin-endoperoxide synthase / glycosylation / membrane / NSAID / protein-drug complex

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