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Structure paper

TitleCarbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 437-442, Year 2006
Publish dateAug 31, 2005 (structure data deposition date)
AuthorsDi Fiore, A. / Pedone, C. / D'Ambrosio, K. / Scozzafava, A. / De Simone, G. / Supuran, C.T.
External linksBioorg. Med. Chem. Lett. / PubMed:16290146
MethodsX-ray diffraction
Resolution1.46 Å
Structure data

PDB-2aw1:
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HGB:
4-(HYDROXYMERCURY)BENZOIC ACID

ChemComp-COX:
4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE / antiinflammatory, inhibitor*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / CARBONIC ANHYDRASE / PROTEIN-INHIBITOR COMPLEX

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