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TitleDiscovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 2789-2801, Year 2020
Publish dateAug 31, 2019 (structure data deposition date)
AuthorsLiu, B. / Trout, R.E.L. / Chu, G.H. / McGarry, D. / Jackson, R.W. / Hamrick, J.C. / Daigle, D.M. / Cusick, S.M. / Pozzi, C. / De Luca, F. ...Liu, B. / Trout, R.E.L. / Chu, G.H. / McGarry, D. / Jackson, R.W. / Hamrick, J.C. / Daigle, D.M. / Cusick, S.M. / Pozzi, C. / De Luca, F. / Benvenuti, M. / Mangani, S. / Docquier, J.D. / Weiss, W.J. / Pevear, D.C. / Xerri, L. / Burns, C.J.
External linksJ. Med. Chem. / PubMed:31765155
MethodsX-ray diffraction
Resolution1.1 - 1.8 Å
Structure data

PDB-6sp6:
Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-6sp7:
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-KJK:
(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-K9B:
(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid

Source
  • escherichia coli (E. coli)
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / beta-lactamase / antibiotic resistance / beta-lactam hydrolysis / Metallo-carbapenemase / metallo-beta-lactamase superfamily / zinc-hydrolase / taniborbactam / beta-lactamase inhibitor

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