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Structure paper

TitleMonoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Journal, issue, pagesBioorg. Med. Chem., Vol. 28, Page 115673-115673, Year 2020
Publish dateNov 22, 2019 (structure data deposition date)
AuthorsCiccone, L. / Nencetti, S. / Tonali, N. / Fruchart-Gaillard, C. / Shepard, W. / Nuti, E. / Camodeca, C. / Rossello, A. / Orlandini, E.
External linksBioorg. Med. Chem. / PubMed:32828431
MethodsX-ray diffraction
Resolution1.45 - 1.702 Å
Structure data

PDB-6ti9:
Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid.
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-6tjn:
Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.702 Å

Chemicals

ChemComp-ND5:
3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid

ChemComp-GOL:
GLYCEROL

ChemComp-PGO:
S-1,2-PROPANEDIOL

ChemComp-HOH:
WATER

ChemComp-NEK:
3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid

Source
  • homo sapiens (human)
KeywordsPROTEIN TRANSPORT / Transthyretin / TTR / inhibitor / complex

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