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Structure paper

TitleUnique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Journal, issue, pagesAcs Infect Dis., Vol. 7, Page 3345-3354, Year 2021
Publish dateJul 10, 2020 (structure data deposition date)
AuthorsTaylor, D.M. / Anglin, J. / Hu, L. / Wang, L. / Sankaran, B. / Wang, J. / Matzuk, M.M. / Prasad, B.V.V. / Palzkill, T.
External linksAcs Infect Dis. / PubMed:34817169
MethodsX-ray diffraction
Resolution2 - 2.8 Å
Structure data

PDB-6xqr:
OXA-48 bound by Compound 2.2
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7jhq:
OXA-48 bound by Compound 2.3
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7k5v:
OXA-48 bound by Compound 3.1
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-7l8o:
OXA-48 bound by Compound 4.3
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7r6z:
OXA-48 bound by Compound 3.3
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-VBV:
[1,1'-biphenyl]-4,4'-disulfonic acid

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-VAJ:
[1,1'-biphenyl]-3,4'-dicarboxylic acid

ChemComp-NA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-BIH:
NAPHTHALENE-2,6-DISULFONIC ACID

ChemComp-XV7:
9H-fluorene-2,7-disulfonate

ChemComp-3I0:
4-amino-5-hydroxynaphthalene-2,7-disulfonic acid

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

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/INHIBITOR / beta-lactamase / carbapenemase / beta-lactamase inhibitor / complex / oxacillinase / HYDROLASE / HYDROLASE-INHIBITOR complex / HYDROLASE/HYDROLASE inhibitor / HYDROLASE-HYDROLASE inhibitor complex

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