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Structure paper

TitleDiscovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 1314-1319, Year 2017
Publish dateSep 28, 2017 (structure data deposition date)
AuthorsNocentini, A. / Bua, S. / Lomelino, C.L. / McKenna, R. / Menicatti, M. / Bartolucci, G. / Tenci, B. / Di Cesare Mannelli, L. / Ghelardini, C. / Gratteri, P. / Supuran, C.T.
External linksACS Med Chem Lett / PubMed:29259754
MethodsX-ray diffraction
Resolution1.622 - 1.638 Å
Structure data

PDB-6b59:
Carbonic anhydrase II in complex with nitrogenous base-bearing benezenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.638 Å

PDB-6b5a:
Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.622 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CQS:
2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE/INHIBITOR / carbonic anhydrase / inhibitor / benzenesulfonamide / purine / adenine / LYASE / LYASE-INHIBITOR complex

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