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Structure paper

TitleStructure-based design of tirabrutinib derivatives as inhibitors of bacterial tryptophanyl-tRNA synthetase.
Journal, issue, pagesBioorg. Chem., Vol. 165, Page 108978-108978, Year 2025
Publish dateJun 5, 2025 (structure data deposition date)
AuthorsXia, K. / Peng, X. / Xiao, L. / Huang, Q. / Xu, J. / Chen, B. / Zhou, H.
External linksBioorg. Chem. / PubMed:40945024
MethodsX-ray diffraction
Resolution1.82 - 1.88 Å
Structure data

PDB-9vce:
Crystal structure of Escherichia coli tryptophanyl-tRNA synthetase in complex with 71g
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-9vci:
Crystal structure of Escherichia coli tryptophanyl-tRNA synthetase in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

PDB-1ers:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-TYM:
TRYPTOPHANYL-5'AMP

ChemComp-CLW:
CHLORZOXAZONE

ChemComp-HOH:
WATER

PDB-1err:
HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE

Source
  • escherichia coli (E. coli)
KeywordsLIGASE / tryptophanyl-tRNA synthetase / compound 71g / complex / LYASE / an inhibitor

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