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Structure paper

TitleStructural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 8635-8645, Year 2014
Publish dateAug 20, 2014 (structure data deposition date)
AuthorsMoeker, J. / Mahon, B.P. / Bornaghi, L.F. / Vullo, D. / Supuran, C.T. / McKenna, R. / Poulsen, S.A.
External linksJ. Med. Chem. / PubMed:25254302
MethodsX-ray diffraction
Resolution1.5 - 1.65 Å
Structure data

PDB-4r59:
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4r5a:
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-4r5b:
Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-3J3:
(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol

ChemComp-HOH:
WATER

ChemComp-3J4:
(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol

Source
  • homo sapiens (human)
KeywordsLYASE / Carbonic Anhydrase IX Mimic / Cytosol

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