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Structure paper

TitleThe anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 14, Page 4853-4858, Year 2016
Publish dateDec 16, 2015 (structure data deposition date)
AuthorsDi Fiore, A. / De Simone, G. / Alterio, V. / Riccio, V. / Winum, J.Y. / Carta, F. / Supuran, C.T.
External linksOrg. Biomol. Chem. / PubMed:27151329
MethodsX-ray diffraction
Resolution1.75 - 1.85 Å
Structure data

PDB-5fdc:
Crystal structure of Human Carbonic Anhydrase II in complex with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog.
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5fdi:
Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog.
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-5WN:
3-[(sulfamoylamino)methyl]-1-benzothiophene

ChemComp-GOL:
GLYCEROL

ChemComp-HGB:
4-(HYDROXYMERCURY)BENZOIC ACID

ChemComp-HOH:
WATER

ChemComp-5WM:
1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene

Source
  • homo sapiens (human)
KeywordsLYASE / Sulfamide Inhibitor / Protein-Inhibitor Complex

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