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TitlePyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.
Journal, issue, pagesAcs Infect Dis., Vol. 5, Page 873-891, Year 2019
Publish dateNov 16, 2018 (structure data deposition date)
AuthorsRevuelto, A. / Ruiz-Santaquiteria, M. / de Lucio, H. / Gamo, A. / Carriles, A.A. / Gutierrez, K.J. / Sanchez-Murcia, P.A. / Hermoso, J.A. / Gago, F. / Camarasa, M.J. ...Revuelto, A. / Ruiz-Santaquiteria, M. / de Lucio, H. / Gamo, A. / Carriles, A.A. / Gutierrez, K.J. / Sanchez-Murcia, P.A. / Hermoso, J.A. / Gago, F. / Camarasa, M.J. / Jimenez-Ruiz, A. / Velazquez, S.
External linksAcs Infect Dis. / PubMed:30983322
MethodsX-ray diffraction
Resolution3.3 Å
Structure data

PDB-6i7n:
Trypanothione Reductase from Leismania infantum in complex with TRL156
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

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

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-H6H:
~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

ChemComp-HOH:
WATER

Source
  • leishmania infantum (eukaryote)
KeywordsFLAVOPROTEIN / Inhibitor / Complex / Dimer / Oxidoreductase

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