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Structure paper

TitleDiscovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
Journal, issue, pagesto be published
Publish dateJun 30, 2014 (structure data deposition date)
AuthorsLi, X. / Hilgers, M.T. / Stidham, M. / Brown-Driver, V. / Shaw, K.J. / Finn, J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.7 - 1.97 Å
Structure data

PDB-4qrd:
Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-4qre:
Structure of Methionyl-tRNA Synthetase in complex with 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-3BJ:
N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

ChemComp-HOH:
WATER

ChemComp-3BG:
1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

Source
  • staphylococcus aureus (bacteria)
KeywordsLIGASE/LIGASE INHIBITOR / protein synthesis / aminoacyl-tRNA synthetase / aminoacylation / cytosol / LIGASE-LIGASE INHIBITOR complex

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