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Structure paper

TitleStructural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 864-868, Year 2016
Publish dateDec 11, 2015 (structure data deposition date)
AuthorsKing, A.M. / King, D.T. / French, S. / Brouillette, E. / Asli, A. / Alexander, J.A. / Vuckovic, M. / Maiti, S.N. / Parr, T.R. / Brown, E.D. ...King, A.M. / King, D.T. / French, S. / Brouillette, E. / Asli, A. / Alexander, J.A. / Vuckovic, M. / Maiti, S.N. / Parr, T.R. / Brown, E.D. / Malouin, F. / Strynadka, N.C. / Wright, G.D.
External linksAcs Chem. Biol. / PubMed:26731698
MethodsX-ray diffraction
Resolution1.67 - 3.01 Å
Structure data

PDB-5fa7:
CTX-M-15 in complex with FPI-1523
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5fao:
CTX-M-15 in complex with FPI-1465
Method: X-RAY DIFFRACTION / Resolution: 3.01 Å

PDB-5fap:
CTX-M-15 in complex with FPI-1602
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-5faq:
OXA-48 in complex with FPI-1465
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-5fas:
OXA-48 in complex with FPI-1523
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5fat:
OXA-48 in complex with FPI-1602
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-5fgz:
E. coli PBP1b in complex with FPI-1465
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

Chemicals

ChemComp-5VR:
[[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate

ChemComp-HOH:
WATER

ChemComp-5VW:
[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate

ChemComp-602:
[[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate

ChemComp-CD:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-CO:
Unknown entry

ChemComp-M0E:
MOENOMYCIN / antibiotic*YM

Source
  • escherichia coli (E. coli)
  • klebsiella pneumoniae (bacteria)
  • escherichia coli (strain k12) (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / Penicillin-binding-protein / inhibitor / complex

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