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TitleInnovative zinc-binding inhibitors of Legionella pneumophila ProA reduce collagen and flagellin degradation, TLR5 evasion, and human lung tissue inflammation.
Journal, issue, pagesEur. J. Med. Chem., Vol. 296, Page 117832-117832, Year 2025
Publish dateOct 9, 2024 (structure data deposition date)
AuthorsScheithauer, L. / Ornago, C. / Selmar, J. / Schutz, C. / Bianchi, G. / Kiefer, A. / Haupenthal, J. / Dellmann, A. / Huynh, D. / Zhang, R. ...Scheithauer, L. / Ornago, C. / Selmar, J. / Schutz, C. / Bianchi, G. / Kiefer, A. / Haupenthal, J. / Dellmann, A. / Huynh, D. / Zhang, R. / Blankenfeldt, W. / Hirsch, A.H. / Steinert, M.
External linksEur. J. Med. Chem. / PubMed:40479898
MethodsX-ray diffraction
Resolution1.36 - 1.51 Å
Structure data

PDB-9h0x:
ProA in complex with inhibitor 6
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-9h0y:
ProA in complex with inhibitor 7
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

Chemicals

PDB-1irk:
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HUMAN INSULIN RECEPTOR

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

PDB-1irl:
THE SOLUTION STRUCTURE OF THE F42A MUTANT OF HUMAN INTERLEUKIN 2

ChemComp-BU3:
(R,R)-2,3-BUTANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

Source
  • legionella pneumophila str. corby (bacteria)
KeywordsHYDROLASE / inhibitor / ProA / Legionella pneumophila / antibiotics

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