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Structure paper

TitleMolecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity.
Journal, issue, pagesMol. Pharmacol., Vol. 84, Page 208-217, Year 2013
Publish dateMar 5, 2013 (structure data deposition date)
AuthorsRoberts, A.B. / Wallace, B.D. / Venkatesh, M.K. / Mani, S. / Redinbo, M.R.
External linksMol. Pharmacol. / PubMed:23690068
MethodsX-ray diffraction
Resolution2.831 Å
Structure data

PDB-4jhz:
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.831 Å

Chemicals

ChemComp-1KV:
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
Keywordshydrolase/hydrolase inhibitor / alpha/beta barrel / sugar-binding domain / beta-sandwich domain / hydrolase-hydrolase inhibitor complex

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