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Structure paper

TitleDevelopment of potent inhibitors targeting bacterial prolyl-tRNA synthetase through fluorine scanning-directed activity tuning.
Journal, issue, pagesEur. J. Med. Chem., Vol. 291, Page 117647-117647, Year 2025
Publish dateSep 3, 2023 (structure data deposition date)
AuthorsLuo, Z. / Qiu, H. / Peng, X. / Tan, Q. / Chen, B. / Gu, Q. / Liu, H. / Zhou, H.
External linksEur. J. Med. Chem. / PubMed:40253792
MethodsX-ray diffraction
Resolution1.807 - 2.553 Å
Structure data

PDB-8w8j:
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-19
Method: X-RAY DIFFRACTION / Resolution: 1.807 Å

PDB-8w8l:
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-38
Method: X-RAY DIFFRACTION / Resolution: 1.824 Å

PDB-8w9i:
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-5
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-8ytk:
Crystal structure of human prolyl-tRNA synthetase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.553 Å

Chemicals


ChemComp, No image

ChemComp-W1Q:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-W20:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry


ChemComp, No image

ChemComp-W2H:
Unknown entry

Source
  • pseudomonas aeruginosa (bacteria)
  • pseudomonas aeruginosa 148 (bacteria)
  • homo sapiens (human)
KeywordsLIGASE / Inhibitor / Prolyl-tRNA synthetase / Complex

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