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Structure paper

TitleIodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Journal, issue, pagesPlos One, Vol. 4, Page e4124-e4124, Year 2009
Publish dateNov 21, 2008 (structure data deposition date)
AuthorsMairal, T. / Nieto, J. / Pinto, M. / Almeida, M.R. / Gales, L. / Ballesteros, A. / Barluenga, J. / Perez, J.J. / Vazquez, J.T. / Centeno, N.B. ...Mairal, T. / Nieto, J. / Pinto, M. / Almeida, M.R. / Gales, L. / Ballesteros, A. / Barluenga, J. / Perez, J.J. / Vazquez, J.T. / Centeno, N.B. / Saraiva, M.J. / Damas, A.M. / Planas, A. / Arsequell, G. / Valencia, G.
External linksPlos One / PubMed:19125186
MethodsX-ray diffraction
Resolution1.8 - 1.85 Å
Structure data

PDB-3fc8:
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOMe
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3fcb:
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-IFA:
METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE

ChemComp-HOH:
WATER

ChemComp-IFB:
N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE

Source
  • homo sapiens (human)
KeywordsHORMONE BINDING PROTEIN / transthyretin / amyloid / inhibitors / iodine / Polymorphism / Polyneuropathy / Retinol-binding / Secreted

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