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Structure paper

TitleUnexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 550-557, Year 2004
Publish dateMar 7, 2003 (structure data deposition date)
AuthorsWeber, A. / Casini, A. / Heine, A. / Kuhn, D. / Supuran, C.T. / Scozzafava, A. / Klebe, G.
External linksJ. Med. Chem. / PubMed:14736236
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-1oq5:
CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CEL:
4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE / antiinflammatory, inhibitor*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsMETAL BINDING PROTEIN / 10-stranded / twisted beta-sheet

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