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TitleInhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Journal, issue, pagesChemmedchem, Vol. 8, Page 1175-, Year 2013
Publish dateJan 4, 2012 (structure data deposition date)
AuthorsBaiocco, P. / Poce, G. / Alfonso, S. / Cocozza, M. / Porretta, G.C. / Colotti, G. / Biava, M. / Moraca, F. / Botta, M. / Yardley, V. ...Baiocco, P. / Poce, G. / Alfonso, S. / Cocozza, M. / Porretta, G.C. / Colotti, G. / Biava, M. / Moraca, F. / Botta, M. / Yardley, V. / Fiorillo, A. / Lantella, A. / Malatesta, F. / Ilari, A.
External linksChemmedchem / PubMed:23733388
MethodsX-ray diffraction
Resolution3.2 - 3.61 Å
Structure data

PDB-4adw:
CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE
Method: X-RAY DIFFRACTION / Resolution: 3.61 Å

PDB-4apn:
Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-GCG:
BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE

ChemComp-JV0:
4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine

ChemComp-HOH:
WATER

Source
  • leishmania infantum (eukaryote)
KeywordsOXIDOREDUCTASE / INHIBITION MECHANISM / TRYPANOSOMATIDS

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