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Structure paper

TitleSimple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 143, Page 623-627, Year 2021
Publish dateMay 15, 2019 (structure data deposition date)
AuthorsBaidin, V. / Owens, T.W. / Lazarus, M.B. / Kahne, D.
External linksJ. Am. Chem. Soc. / PubMed:33411531
MethodsX-ray diffraction
Resolution2.12 - 3.16 Å
Structure data

PDB-6oz5:
Escherichia coli tRNA synthetase in complex with compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6p24:
Escherichia coli tRNA synthetase
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-6p26:
Escherichia coli tRNA synthetase in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 3.16 Å

PDB-6p8t:
Acinetobacter baumannii tRNA synthetase in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

Chemicals

ChemComp-VB3:
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol

ChemComp-MG:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-HEZ:
HEXANE-1,6-DIOL

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-NO4:
N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine

Source
  • escherichia coli str. k-12 substr. mg1655 (bacteria)
  • escherichia coli (strain k12) (bacteria)
  • acinetobacter baumannii (strain atcc 19606 / dsm 30007 / cip 70.34 / jcm 6841 / nbrc 109757 / ncimb 12457 / nctc 12156 / 81) (bacteria)
KeywordsLIGASE / Inhibitor / Aminoacyl-tRNA synthetase / PheRS / Antibacterial

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