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Structure paper

TitleNatural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 1682-1692, Year 2011
Publish dateJun 2, 2010 (structure data deposition date)
AuthorsDavis, R.A. / Hofmann, A. / Osman, A. / Hall, R.A. / Muhlschlegel, F.A. / Vullo, D. / Innocenti, A. / Supuran, C.T. / Poulsen, S.A.
External linksJ. Med. Chem. / PubMed:21332115
MethodsX-ray diffraction
Resolution1.8 - 2 Å
Structure data

PDB-3nb5:
Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3p4v:
Human carbonic anhydrase II in complex with (+)-Xylariamide A
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-R21:
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-PMX:
3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / drug design / natural product / sulfamate / LYASE-LYASE INHIBITOR complex / Carbonic anhydrase / alpha type

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