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TitleHigh-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Journal, issue, pagesSci Rep, Vol. 7, Page 4029-4029, Year 2017
Publish dateApr 3, 2017 (structure data deposition date)
AuthorsIshii, S. / Fukui, K. / Yokoshima, S. / Kumagai, K. / Beniyama, Y. / Kodama, T. / Fukuyama, T. / Okabe, T. / Nagano, T. / Kojima, H. / Yano, T.
External linksSci Rep / PubMed:28642545
MethodsX-ray diffraction
Resolution3.1 - 3.101 Å
Structure data

PDB-5xe8:
Crystal Structure of the Peptidase Domain of Streptococcus mutans ComA
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-5xe9:
Crystal Structure of the Complex of the Peptidase Domain of Streptococcus mutans ComA with a Small Molecule Inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 3.101 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-6CH:
[(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate

Source
  • streptococcus mutans serotype c (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Peptidase / Quorum-sensing / HYDROLASE-HYDROLASE INHIBITOR complex

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