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Structure paper

TitleSulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.
Journal, issue, pagesBioorg. Med. Chem., Vol. 19, Page 3105-3119, Year 2011
Publish dateApr 19, 2010 (structure data deposition date)
AuthorsCarta, F. / Garaj, V. / Maresca, A. / Wagner, J. / Avvaru, B.S. / Robbins, A.H. / Scozzafava, A. / McKenna, R. / Supuran, C.T.
External linksBioorg. Med. Chem. / PubMed:21515057
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-3mmf:
Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-3mna:
The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-D9H:
4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-DWH:
methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate

Source
  • homo sapiens (human)
Keywordslyase/lyase inhibitor / zinc metalloenzyme / inhibitor / sulfonamide / metal-binding / triazine / LYASE / lyase-lyase inhibitor complex

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