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Structure paper

TitleSaccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 23, Page 849-854, Year 2015
Publish dateOct 7, 2014 (structure data deposition date)
AuthorsMahon, B.P. / Hendon, A.M. / Driscoll, J.M. / Rankin, G.M. / Poulsen, S.A. / Supuran, C.T. / McKenna, R.
External linksBioorg. Med. Chem. / PubMed:25614109
MethodsX-ray diffraction
Resolution1.631 - 1.651 Å
Structure data

PDB-4riu:
A Carbonic Anhydrase IX Mimic in Complex with a Saccharin-Based Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.651 Å

PDB-4riv:
A Carbonic Anhydrase IX Mimic in Complex with Saccharin
Method: X-RAY DIFFRACTION / Resolution: 1.631 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-3QR:
[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside

ChemComp-HOH:
WATER

ChemComp-LSA:
1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

Source
  • homo sapiens (human)
KeywordsLyase/Lyase inhibitor / Carbonic Anhydrase Fold / Reversible Hydration of CO2 / Active Site Point Mutations / Cytosolic / Lyase-Lyase inhibitor complex / LYASE

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