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TitleStructure-activity analysis of imino-pyrimidinone-fused pyrrolidines aids the development of dual plasmepsin V and plasmepsin X inhibitors.
Journal, issue, pagesFebs J., Vol. 292, Page 2843-2864, Year 2025
Publish dateAug 25, 2023 (structure data deposition date)
AuthorsHodder, A.N. / Sleebs, B.E. / Adams, G. / Rezazadeh, S. / Ngo, A. / Jarman, K. / Scally, S. / Czabotar, P. / Wang, H. / McCauley, J.A. ...Hodder, A.N. / Sleebs, B.E. / Adams, G. / Rezazadeh, S. / Ngo, A. / Jarman, K. / Scally, S. / Czabotar, P. / Wang, H. / McCauley, J.A. / Olsen, D.B. / Cowman, A.F.
External linksFebs J. / PubMed:40035447
MethodsX-ray diffraction
Resolution1.64 - 2.59 Å
Structure data

PDB-8tyf:
Plasmodium vivax PMV-WM06 inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

PDB-8tyg:
Plasmodium vivax PMV-WM08 inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-8tyh:
Plasmodium vivax PMX
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose


ChemComp, No image

ChemComp-T0F:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-SKC:
Unknown entry

ChemComp-TEW:
6-tungstotellurate(VI)

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-GOL:
GLYCEROL

Source
  • plasmodium vivax sal-1 (eukaryote)
KeywordsHYDROLASE/Inhibitor / PlasmepsinIX / PlasmepsinX / inhibitor / HYDROLASE / HYDROLASE-Inhibitor complex / PlasmepsinV

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