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Structure paper

TitleRational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 7836-7842, Year 2010
Publish dateMay 31, 2010 (structure data deposition date)
AuthorsDaher, R. / Fonvielle, M. / Gest, P.M. / Guerin, M.E. / Jackson, M. / Sygusch, J. / Therisod, M.
External linksJ. Med. Chem. / PubMed:20929256
MethodsX-ray diffraction
Resolution1.8 - 1.85 Å
Structure data

PDB-3n9r:
Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, a competitive inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3n9s:
Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)- glycolohydroxamic acid bis-phosphate, a competitive inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-TD3:
2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate

ChemComp-HOH:
WATER

ChemComp-TD4:
4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate

ChemComp-CA:
Unknown entry

Source
  • helicobacter pylori (bacteria)
KeywordsLYASE / FBP aldolase / Class II / inhibitor / LYASE/LYASE INHIBITOR / LYASE-LYASE INHIBITOR complex

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