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TitleIn silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease
Journal, issue, pagesSci Rep, Vol. 7, Page 6666-6666, Year 2017
Publish dateDec 17, 2015 (structure data deposition date)
AuthorsYoshino, R. / Yasuo, N. / Hagiwara, Y. / Ishida, T. / Inaoka, D.K. / Amano, Y. / Tateishi, Y. / Ohno, K. / Namatame, I. / Niimi, T. ...Yoshino, R. / Yasuo, N. / Hagiwara, Y. / Ishida, T. / Inaoka, D.K. / Amano, Y. / Tateishi, Y. / Ohno, K. / Namatame, I. / Niimi, T. / Orita, M. / Kita, K. / Akiyama, Y. / Sekijima, M.
External linksSci Rep / PubMed:28751689
MethodsX-ray diffraction
Resolution1.58 Å
Structure data

PDB-5b1s:
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-S4M:
5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE

ChemComp-BSX:
2-(2-fluorophenyl)ethanamine

ChemComp-HOH:
WATER

Source
  • trypanosoma cruzi strain cl brener (eukaryote)
KeywordsTRANSFERASE / polyamine synthesis

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