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Structure paper

TitleEfficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Journal, issue, pagesPlos Pathog., Vol. 17, Page e1009965-e1009965, Year 2021
Publish dateMay 26, 2021 (structure data deposition date)
AuthorsSullivan, J.R. / Lupien, A. / Kalthoff, E. / Hamela, C. / Taylor, L. / Munro, K.A. / Schmeing, T.M. / Kremer, L. / Behr, M.A.
External linksPlos Pathog. / PubMed:34637487
MethodsX-ray diffraction
Resolution1.7 - 2.1 Å
Structure data

PDB-7n11:
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-7n12:
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-365:
[(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate

Source
  • mycobacteroides abscessus (bacteria)
KeywordsLIGASE/LIGASE INHIBITOR / oxaborole / inhibitor / complex / ANTIBIOTIC / LIGASE-LIGASE INHIBITOR complex

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