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Structure paper

TitleStructural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Journal, issue, pagesSci Rep, Vol. 12, Page 5510-5510, Year 2022
Publish dateOct 17, 2021 (structure data deposition date)
AuthorsPerbandt, M. / Werner, N. / Prester, A. / Rohde, H. / Aepfelbacher, M. / Hinrichs, W. / Betzel, C.
External linksSci Rep / PubMed:35365689
MethodsX-ray diffraction
Resolution1 - 1.3 Å
Structure data

PDB-7q0y:
Crystal structure of CTX-M-14 in complex with Bortezomib
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-7q0z:
Crystal structure of CTX-M-14
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7q11:
Crystal structure of CTX-M-14 in complex with Ixazomib
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

Chemicals

ChemComp-BO2:
N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE / medication, anticancer*YM

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-6V8:
[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / Lactamase / Antibiotic / Resistence

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