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Structure paper

TitleBroad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Journal, issue, pagesBioorg. Med. Chem., Vol. 62, Page 116722-116722, Year 2022
Publish dateJan 12, 2022 (structure data deposition date)
AuthorsReddy, K.R. / Totrov, M. / Lomovskaya, O. / Griffith, D.C. / Tarazi, Z. / Clifton, M.C. / Hecker, S.J.
External linksBioorg. Med. Chem. / PubMed:35358864
MethodsX-ray diffraction
Resolution1.5 - 2 Å
Structure data

PDB-7ti0:
Structure of CTX-M-15 bound to RPX-7063 at 1.5A
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7ti1:
Structure of AmpC bound to RPX-7063 at 2.0A
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7ti2:
Structure of KPC-2 bound to RPX-7063 at 1.75A
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-ZXQ:
{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • klebsiella pneumoniae (bacteria)
  • enterobacter cloacae (bacteria)
KeywordsHYDROLASE / CTX-M-15 / ANTIBIOTIC / AmpC / KPC-2

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