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-Structure paper
Title | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. |
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Journal, issue, pages | Acs Infect Dis., Vol. 8, Page 1687-1699, Year 2022 |
Publish date | Mar 15, 2021 (structure data deposition date) |
Authors | Battista, T. / Federico, S. / Brogi, S. / Pozzetti, L. / Khan, T. / Butini, S. / Ramunno, A. / Fiorentino, E. / Orsini, S. / Di Muccio, T. ...Battista, T. / Federico, S. / Brogi, S. / Pozzetti, L. / Khan, T. / Butini, S. / Ramunno, A. / Fiorentino, E. / Orsini, S. / Di Muccio, T. / Fiorillo, A. / Exertier, C. / Di Risola, D. / Colotti, G. / Gemma, S. / Ilari, A. / Campiani, G. |
External links | Acs Infect Dis. / PubMed:35880849 |
Methods | X-ray diffraction |
Resolution | 2.153 Å |
Structure data | PDB-7nvp: |
Chemicals | ChemComp-FAD: ChemComp-UT2: ChemComp-GOL: ChemComp-SO4: ChemComp-HOH: |
Source |
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Keywords | OXIDOREDUCTASE / Trypanothione / neglected tropical diseases / inhibition / redox equilibrium |