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TitleStructure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking
Journal, issue, pagesSci Rep, Vol. 5, Page 9705-9705, Year 2015
Publish dateApr 5, 2013 (structure data deposition date)
AuthorsBrindisi, M. / Brogi, S. / Relitti, N. / Vallone, A. / Butini, S. / Gemma, S. / Novellino, E. / Colotti, G. / Angiulli, G. / Di Chiaro, F. ...Brindisi, M. / Brogi, S. / Relitti, N. / Vallone, A. / Butini, S. / Gemma, S. / Novellino, E. / Colotti, G. / Angiulli, G. / Di Chiaro, F. / Fiorillo, A. / Ilari, A. / Campiani, G.
External linksSci Rep / PubMed:25951439
MethodsX-ray diffraction
Resolution2.34 Å
Structure data

PDB-4k1f:
Crystal structure of reduced tryparedoxin peroxidase from leishmania major at 2.34 A resolution
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

Chemicals

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-CL:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PE8:
3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL

ChemComp-HOH:
WATER

Source
  • leishmania major (eukaryote)
KeywordsOXIDOREDUCTASE / Thioredoxin fold / PEROXIDASE

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