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TitleResveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 15511-15523, Year 2023
Publish dateAug 23, 2023 (structure data deposition date)
AuthorsYokoyama, T. / Kusaka, K. / Mizuguchi, M. / Nabeshima, Y. / Fujiwara, S.
External linksJ. Med. Chem. / PubMed:37910439
MethodsX-ray diffraction / neutron diffraction
Resolution1.1 - 1.45 Å
Structure data

PDB-8w42:
X-ray crystal structure of V30M-TTR in complex with resveratrol
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-8w43:
X-ray crystal structure of V30M-TTR in complex with piceatannol
Method: X-RAY DIFFRACTION / Resolution: 1.302 Å

PDB-8w44:
X-ray crystal structure of V30M-TTR in complex with oxyresveratrol
Method: X-RAY DIFFRACTION / Resolution: 1.399 Å

PDB-8w45:
X-ray crystal structure of V30M-TTR in complex with pinostilbene
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-8w46:
X-ray crystal structure of V30M-TTR in complex with pterostilbene
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-8w47:
X-ray crystal structure of V30M-TTR in complex with isorhapontigenin
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8w48:
Neutron and X-ray joint structure of WT-TTR in complex with piceatannol
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.19 Å

Chemicals

ChemComp-STL:
RESVERATROL

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PIT:
PICEATANNOL

ChemComp-EZE:
trans-oxyresveratrol

ChemComp-8KZ:
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol

ChemComp-3RL:
Pterostilbene

ChemComp-P5O:
5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol

ChemComp-DOD:
DEUTERATED WATER

Source
  • homo sapiens (human)
KeywordsTRANSPORT PROTEIN / Amyloidogenesis / thyroid hormone inhibitor / Inhibitor / Resveratrol / Thyroid hormone / Neutron

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