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Structure paper

TitleStructural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Journal, issue, pagesNature, Vol. 384, Page 644-648, Year 1996
Publish dateDec 17, 1996 (structure data deposition date)
AuthorsKurumbail, R.G. / Stevens, A.M. / Gierse, J.K. / McDonald, J.J. / Stegeman, R.A. / Pak, J.Y. / Gildehaus, D. / Miyashiro, J.M. / Penning, T.D. / Seibert, K. ...Kurumbail, R.G. / Stevens, A.M. / Gierse, J.K. / McDonald, J.J. / Stegeman, R.A. / Pak, J.Y. / Gildehaus, D. / Miyashiro, J.M. / Penning, T.D. / Seibert, K. / Isakson, P.C. / Stallings, W.C.
External linksNature / PubMed:8967954
MethodsX-ray diffraction
Resolution2.5 - 3 Å
Structure data

PDB-1cx2:
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-3pgh:
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4cox:
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-5cox:
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-6cox:
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

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

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-S58:
1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE

ChemComp-FLP:
FLURBIPROFEN / antiinflammatory*YM

ChemComp-IMN:
INDOMETHACIN / medication, antiinflammatory*YM

Source
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE / PEROXIDASE / DIOXYGENASE / CYCLOOXYGENASE / NONSTEROIDAL ANTIINFLAMMATORY DRUGS / INFLAMMATION / ARTHRITIS / PROSTAGLANDIN / PROSTAGLANDIN SYNTHASE

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