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TitleInhibitors of GapN-dependent NADPH supply as potential lead compounds for novel therapeutics against Streptococcus pyogenes.
Journal, issue, pagesVirulence, Vol. 17, Page 2609393-2609393, Year 2026
Publish dateSep 8, 2023 (structure data deposition date)
AuthorsSchutt, I. / Einwohlt, P. / Wandinger, A.M. / Teuffel, J. / Wirsing, R. / Hlawatschke, B.H. / Fehlauer, H.L. / Bothe, S. / Bader, N. / Monaci, E. ...Schutt, I. / Einwohlt, P. / Wandinger, A.M. / Teuffel, J. / Wirsing, R. / Hlawatschke, B.H. / Fehlauer, H.L. / Bothe, S. / Bader, N. / Monaci, E. / Kreikemeyer, B. / Schindelin, H. / Wade, R.C. / Fiedler, T.
External linksVirulence / PubMed:41437515
MethodsX-ray diffraction
Resolution1.38 - 1.99 Å
Structure data

PDB-8qhn:
Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-9ras:
Streptococcus pyogenes GapN in complex with imidazoline-2,4-dione
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-9rau:
Streptococcus pyogenes GapN in complex with pyrimidine-5-amine
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-9rav:
Streptococcus pyogenes GapN in complex with 4-hydroxypyridazine
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-9raz:
Streptococcus pyogenes GapN in complex with NADP and glyceraldehyde-3-phosphate
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-9rb1:
Streptococcus pyogenes GapN in complex with 2-cyanoacetamide
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-E4P:
ERYTHOSE-4-PHOSPHATE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

PDB-1jdz:
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-T5V:
pyrimidin-5-amine

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-CL:
Unknown entry

PDB-1jdy:
RABBIT MUSCLE PHOSPHOGLUCOMUTASE

ChemComp-G3H:
GLYCERALDEHYDE-3-PHOSPHATE

ChemComp-XHD:
2-cyanoacetamide

Source
  • streptococcus pyogenes (bacteria)
KeywordsOXIDOREDUCTASE / GapN / NADPH / G3H / Substrate / Soaking / Fragment screening / NADP

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