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TitleDiscovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Journal, issue, pagesAcs Omega, Vol. 8, Page 25850-25860, Year 2023
Publish dateAug 4, 2017 (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 linksAcs Omega / PubMed:37521650
MethodsX-ray diffraction
Resolution2.07 - 2.16 Å
Structure data

PDB-5y4p:
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-5y4q:
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

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

ChemComp-8QO:
5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol

ChemComp-HOH:
WATER

ChemComp-8OF:
N-(4-methoxyphenyl)quinolin-4-amine

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

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