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TitleCarborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations.
Journal, issue, pagesBiomed Res Int, Vol. 2014, Page 389869-389869, Year 2014
Publish dateApr 24, 2014 (structure data deposition date)
AuthorsMader, P. / Pecina, A. / Cigler, P. / Lepsik, M. / Sicha, V. / Hobza, P. / Gruner, B. / Fanfrlik, J. / Brynda, J. / Rezacova, P.
External linksBiomed Res Int / PubMed:25309911
MethodsX-ray diffraction
Resolution1 Å
Structure data

PDB-4q78:
Structure-assisted design of carborane-based inhibitors of carbonic anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-25X:
1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane

ChemComp-MBO:
MERCURIBENZOIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / Carbonic Anhydrase / LYASE-LYASE INHIBITOR complex

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