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Structure paper

TitleTwo-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium
Journal, issue, pagesTo Be Published
Publish dateSep 4, 2023 (structure data deposition date)
AuthorsWang, G. / Heras, B.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.74 - 2.16 Å
Structure data

PDB-8u1y:
E.coli DsbA in complex with N-(4-(thiophen-3-yl)benzyl)cyclohexanamine
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-8u59:
EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and N-(4-(thiophen-3-yl)benzyl)cyclohexanamine
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-8ubq:
EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and 2-benzyl-4-phenylthiazole-5-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.001 Å

PDB-8uf9:
EcDsbA in complex with 2-benzyl-4-phenylthiazole-5-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

Chemicals


ChemComp, No image

ChemComp-5V9:
Unknown entry

ChemComp-CU:
COPPER (II) ION

ChemComp-HOH:
WATER

ChemComp-SW0:
N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide


ChemComp, No image

ChemComp-W9H:
Unknown entry

Source
  • escherichia coli k-12 (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Inhibitor / complex / disulfide oxidoreductase / fragments / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / OXIDOREDUCTASE / OXIDOREDUCTASE-INHIBITOR complex / Inhibitors

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