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Structure paper

TitleDrug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors.
Journal, issue, pagesChem. Biol., Vol. 18, Page 1089-1101, Year 2011
Publish dateApr 5, 2011 (structure data deposition date)
AuthorsCho, Y. / Vermeire, J.J. / Merkel, J.S. / Leng, L. / Du, X. / Bucala, R. / Cappello, M. / Lolis, E.
External linksChem. Biol. / PubMed:21944748
MethodsX-ray diffraction
Resolution1.8 - 2.1 Å
Structure data

PDB-3rf4:
Ancylostoma ceylanicum mif in complex with furosemide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3rf5:
Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-FUN:
5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID / medication*YM

ChemComp-IMD:
IMIDAZOLE

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-FUZ:
2-[(furan-2-ylmethyl)amino]benzoic acid

Source
  • ancylostoma ceylanicum (invertebrata)
KeywordsISOMERASE/ISOMERASE INHIBITOR / PROTEIN-SMALL MOLECULE COMPLEX / ISOMERASE / ISOMERASE-ISOMERASE INHIBITOR complex

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