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Structure paper

TitleCyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Journal, issue, pagesRsc Med Chem, Vol. 11, Page 491-496, Year 2020
Publish dateNov 7, 2019 (structure data deposition date)
AuthorsTooke, C.L. / Hinchliffe, P. / Krajnc, A. / Mulholland, A.J. / Brem, J. / Schofield, C.J. / Spencer, J.
External linksRsc Med Chem / PubMed:33479650
MethodsX-ray diffraction
Resolution0.99 - 1.2 Å
Structure data

PDB-6td0:
Crystal structure of vaborbactam bound to KPC-2
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-6td1:
Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-4D6:
Vaborbactam / antibiotic, inhibitor*YM

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-KJK:
(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Source
  • klebsiella pneumoniae (bacteria)
KeywordsANTIMICROBIAL PROTEIN / inhibitor / boronate / beta-lactamase

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