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TitleIn Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 1255-1260, Year 2018
Publish dateMay 20, 2016 (structure data deposition date)
AuthorsCain, R. / Brem, J. / Zollman, D. / McDonough, M.A. / Johnson, R.M. / Spencer, J. / Makena, A. / Abboud, M.I. / Cahill, S. / Lee, S.Y. ...Cain, R. / Brem, J. / Zollman, D. / McDonough, M.A. / Johnson, R.M. / Spencer, J. / Makena, A. / Abboud, M.I. / Cahill, S. / Lee, S.Y. / McHugh, P.J. / Schofield, C.J. / Fishwick, C.W.G.
External linksJ. Med. Chem. / PubMed:29271657
MethodsX-ray diffraction
Resolution1.744 Å
Structure data

PDB-5k48:
VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.744 Å

Chemicals

ChemComp-S5Z:
4-phenyl-2-(sulfanylmethyl)benzoic acid

ChemComp-FMT:
FORMIC ACID

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / metallo beta-lactamase / antibiotic resistance / carbapenamase. inhibitor

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