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Structure paper

TitleTargeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Year 2020
Publish dateApr 4, 2018 (structure data deposition date)
AuthorsBhatt, A.P. / Pellock, S.J. / Biernat, K.A. / Walton, W.G. / Wallace, B.D. / Creekmore, B.C. / Letertre, M.M. / Swann, J.R. / Wilson, I.D. / Roques, J.R. ...Bhatt, A.P. / Pellock, S.J. / Biernat, K.A. / Walton, W.G. / Wallace, B.D. / Creekmore, B.C. / Letertre, M.M. / Swann, J.R. / Wilson, I.D. / Roques, J.R. / Darr, D.B. / Bailey, S.T. / Montgomery, S.A. / Roach, J.M. / Azcarate-Peril, M.A. / Sartor, R.B. / Gharaibeh, R.Z. / Bultman, S.J. / Redinbo, M.R.
External linksProc. Natl. Acad. Sci. USA / PubMed:32170007
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-6cxs:
Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-FJV:
4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine

ChemComp-HOH:
WATER

Source
  • clostridium perfringens (strain 13 / type a) (bacteria)
  • escherichia coli (E. coli)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE-INHIBITOR complex / HYDROLASE-HYDROLASE INHIBITOR complex

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