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TitleBasis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Journal, issue, pagesStructure, Vol. 30, Page 947-, Year 2022
Publish dateDec 21, 2021 (structure data deposition date)
AuthorsHodder, A.N. / Christensen, J. / Scally, S. / Triglia, T. / Ngo, A. / Birkinshaw, R.W. / Bailey, B. / Favuzza, P. / Dietrich, M.H. / Tham, W.H. ...Hodder, A.N. / Christensen, J. / Scally, S. / Triglia, T. / Ngo, A. / Birkinshaw, R.W. / Bailey, B. / Favuzza, P. / Dietrich, M.H. / Tham, W.H. / Czabotar, P.E. / Lowes, K. / Guo, Z. / Murgolo, N. / Lera Ruiz, M. / McCauley, J.A. / Sleebs, B.E. / Olsen, D. / Cowman, A.F.
External linksStructure / PubMed:35460613
MethodsX-ray diffraction
Resolution1.85 - 3.35 Å
Structure data

PDB-7tbb:
Crystal structure of Plasmepsin X from Plasmodium falciparum
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7tbc:
Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-7tbd:
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-7tbe:
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4
Method: X-RAY DIFFRACTION / Resolution: 3.35 Å

Chemicals

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

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-I0L:
(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide

ChemComp-I0I:
3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide

ChemComp-SO4:
SULFATE ION

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
  • plasmodium vivax (malaria parasite P. vivax)
KeywordsHYDROLASE / Aspartyl Protease

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