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TitleIdentifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Journal, issue, pagesAcs Infect Dis., Vol. 6, Page 1214-1227, Year 2020
Publish dateNov 2, 2019 (structure data deposition date)
AuthorsTaylor, D.M. / Anglin, J. / Park, S. / Ucisik, M.N. / Faver, J.C. / Simmons, N. / Jin, Z. / Palaniappan, M. / Nyshadham, P. / Li, F. ...Taylor, D.M. / Anglin, J. / Park, S. / Ucisik, M.N. / Faver, J.C. / Simmons, N. / Jin, Z. / Palaniappan, M. / Nyshadham, P. / Li, F. / Campbell, J. / Hu, L. / Sankaran, B. / Prasad, B.V.V. / Huang, H. / Matzuk, M.M. / Palzkill, T.
External linksAcs Infect Dis. / PubMed:32182432
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-6uvk:
OXA-48 bound by inhibitor CDD-97
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-QHY:
1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Inhibitor / beta-lactamase / OXA-48 / HYDROLASE-HYDROLASE INHIBITOR complex

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