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TitleStructure-based drug design identifies polythiophenes as antiprion compounds.
Journal, issue, pagesSci Transl Med, Vol. 7, Page 299ra123-299ra123, Year 2015
Publish dateSep 16, 2014 (structure data deposition date)
AuthorsHerrmann, U.S. / Schutz, A.K. / Shirani, H. / Huang, D. / Saban, D. / Nuvolone, M. / Li, B. / Ballmer, B. / Aslund, A.K. / Mason, J.J. ...Herrmann, U.S. / Schutz, A.K. / Shirani, H. / Huang, D. / Saban, D. / Nuvolone, M. / Li, B. / Ballmer, B. / Aslund, A.K. / Mason, J.J. / Rushing, E. / Budka, H. / Nystrom, S. / Hammarstrom, P. / Bockmann, A. / Caflisch, A. / Meier, B.H. / Nilsson, K.P. / Hornemann, S. / Aguzzi, A.
External linksSci Transl Med / PubMed:26246168
MethodsNMR (solution)
Structure data

PDB-2mus:
HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
Method: SOLUTION NMR

Chemicals

ChemComp-3LS:
3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid

Source
  • podospora anserina (fungus)
KeywordsPROTEIN FIBRIL / amyloid fibril / HET-s(218-289) / parallel beta-sheet / beta-solenoid / prion / luminescent conjugated polythiophene

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