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Structure paper

TitleSynthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 2988-3001, Year 2015
Publish dateFeb 12, 2015 (structure data deposition date)
AuthorsChofor, R. / Sooriyaarachchi, S. / Risseeuw, M.D. / Bergfors, T. / Pouyez, J. / Johny, C. / Haymond, A. / Everaert, A. / Dowd, C.S. / Maes, L. ...Chofor, R. / Sooriyaarachchi, S. / Risseeuw, M.D. / Bergfors, T. / Pouyez, J. / Johny, C. / Haymond, A. / Everaert, A. / Dowd, C.S. / Maes, L. / Coenye, T. / Alex, A. / Couch, R.D. / Jones, T.A. / Wouters, J. / Mowbray, S.L. / Van Calenbergh, S.
External linksJ. Med. Chem. / PubMed:25781377
MethodsX-ray diffraction
Resolution1.6 - 2.1 Å
Structure data

PDB-4y67:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4y6p:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4y6r:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC137, and manganese
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4y6s:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-RC5:
[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-R77:
[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-RF7:
{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid

ChemComp-CL:
Unknown entry

ChemComp-48S:
[(2R)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
  • plasmodium falciparum 3d7 (eukaryote)
  • plasmodium falciparum (isolate 3d7) (eukaryote)
KeywordsOXIDOREDUCTASE / enzyme-inhibitor complex / MEP pathway / isoprenoid biosynthesis

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