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Structure paper

TitleX-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
Journal, issue, pagesJ Enzyme Inhib Med Chem, Page 1-10, Year 2015
Publish dateJun 10, 2014 (structure data deposition date)
AuthorsCiccone, L. / Nencetti, S. / Rossello, A. / Tepshi, L. / Stura, E.A. / Orlandini, E.
External linksPubMed:26235916
MethodsX-ray diffraction
Resolution1.25 - 1.58 Å
Structure data

PDB-4tq8:
Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR)
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-4tqh:
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.511 Å

PDB-4tqi:
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-4tqp:
Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-7BD:
3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-ES8:
[(9H-fluoren-9-ylideneamino)oxy]acetic acid

ChemComp-6BD:
(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid

ChemComp-GOL:
GLYCEROL

ChemComp-48R:
(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide

Source
  • homo sapiens (human)
KeywordsHORMONE / TTR / inhibitor 15 / forward and reverse binding modes / amyloid inhibitor / Polyethylene glycol crystallization / Transthyretin (TTR) complex / Amyloid antagonist and inhibitor / Fluorenone based inhibitor / dual binding mode / TRANSPORT PROTEIN / PEG TTR crystallization / Flourenone based amyloid antagonist and inhibitor / Prealbumin / hormone transporter / Polyethylene glycol TTR crystallization / Amyloid antagonist inhibitor / Transthyretin / fluorenone based inhibitors

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