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Structure paper

Title2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Journal, issue, pagesChem Sci, Vol. 12, Page 2898-2908, Year 2021
Publish dateAug 2, 2020 (structure data deposition date)
AuthorsRossi, M.A. / Martinez, V. / Hinchliffe, P. / Mojica, M.F. / Castillo, V. / Moreno, D.M. / Smith, R. / Spellberg, B. / Drusano, G.L. / Banchio, C. ...Rossi, M.A. / Martinez, V. / Hinchliffe, P. / Mojica, M.F. / Castillo, V. / Moreno, D.M. / Smith, R. / Spellberg, B. / Drusano, G.L. / Banchio, C. / Bonomo, R.A. / Spencer, J. / Vila, A.J. / Mahler, G.
External linksChem Sci / PubMed:34164056
MethodsX-ray diffraction
Resolution1.4 - 1.8700095823 Å
Structure data

PDB-6zyn:
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Method: X-RAY DIFFRACTION / Resolution: 1.40001375561 Å

PDB-6zyo:
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-6zyp:
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6zyq:
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6zyr:
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-6zys:
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Method: X-RAY DIFFRACTION / Resolution: 1.8700095823 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-QT2:
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-QST:
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NA:
Unknown entry

ChemComp-ACT:
ACETATE ION

Source
  • pseudomonas aeruginosa (bacteria)
  • klebsiella pneumoniae (bacteria)
  • serratia marcescens (bacteria)
KeywordsANTIMICROBIAL PROTEIN / antibiotic resistance / lactamase / zinc / inhibitor / metallo-b-lactamase / antiboitic resistance

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