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TitleStructure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 2656-2674, Year 2022
Publish dateDec 30, 2019 (structure data deposition date)
AuthorsWen, W. / Cao, H. / Huang, Y. / Tu, J. / Wan, C. / Wan, J. / Han, X. / Chen, H. / Liu, J. / Rao, L. ...Wen, W. / Cao, H. / Huang, Y. / Tu, J. / Wan, C. / Wan, J. / Han, X. / Chen, H. / Liu, J. / Rao, L. / Su, C. / Peng, C. / Sheng, C. / Ren, Y.
External linksJ. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution2.343 - 2.98 Å
Structure data

PDB-6lnk:
Candida albicans Fructose-1,6-bisphosphate aldolase
Method: X-RAY DIFFRACTION / Resolution: 2.639 Å

PDB-7v6f:
Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

PDB-7v6g:
Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39
Method: X-RAY DIFFRACTION / Resolution: 2.343 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-G3H:
GLYCERALDEHYDE-3-PHOSPHATE

ChemComp-6Y3:
~{N}-(4-aminophenyl)-2-selanyl-benzamide

Source
  • candida albicans sc5314 (yeast)
KeywordsLYASE / aldolase / FBA

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