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TitleIdentification and optimization of Trypanosoma Brucei Pteridine-Reductase 1 Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Journal, issue, pagesTo Be Published
Publish dateMar 6, 2025 (structure data deposition date)
AuthorsLinciano, P. / Landi, G. / Mangani, S. / Pozzi, C. / Costi, M.P.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-9qdk:
Trypanosoma brucei PTR1 in complex with fragment L330 and compound F46
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-QY8:
2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

ChemComp-AX8:
1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsOXIDOREDUCTASE / Trypanosoma brucei / pteridine reductase / PTR1 / TbPTR1 / fragment based drug design / NADPH

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