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Structure paper

TitleCarborane-based carbonic anhydrase inhibitors.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 52, Page 13760-13763, Year 2013
Publish dateAug 22, 2013 (structure data deposition date)
AuthorsBrynda, J. / Mader, P. / Sicha, V. / Fabry, M. / Poncova, K. / Bakardiev, M. / Gruner, B. / Cigler, P. / Rezacova, P.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:24307504
MethodsX-ray diffraction
Resolution1.35 - 1.55 Å
Structure data

PDB-4mdg:
Closo Carborane Carbonic Anhydrase Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4mdl:
Meta Carborane Carbonic Anhydrase Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.516 Å

PDB-4mdm:
Nido-Carborane Carbonic Anhydrase Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-ZN:
Unknown entry

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

ChemComp-HOH:
WATER

ChemComp-MBO:
MERCURIBENZOIC ACID

ChemComp-25Y:
1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane

ChemComp-26E:
7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane

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

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