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Title[1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket binding.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 1127-1136, Year 2012
Publish dateOct 28, 2011 (structure data deposition date)
AuthorsShultz, M.D. / Kirby, C.A. / Stams, T. / Chin, D.N. / Blank, J. / Charlat, O. / Cheng, H. / Cheung, A. / Cong, F. / Feng, Y. ...Shultz, M.D. / Kirby, C.A. / Stams, T. / Chin, D.N. / Blank, J. / Charlat, O. / Cheng, H. / Cheung, A. / Cong, F. / Feng, Y. / Fortin, P.D. / Hood, T. / Tyagi, V. / Xu, M. / Zhang, B. / Shao, W.
External linksJ. Med. Chem. / PubMed:22260203
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-3udd:
Tankyrase-1 in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-34M:
3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Transferase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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