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TitlePITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Journal, issue, pagesEur. J. Med. Chem., Vol. 261, Page 115837-115837, Year 2023
Publish dateJun 28, 2023 (structure data deposition date)
AuthorsPinheiro, F. / Varejao, N. / Sanchez-Morales, A. / Bezerra, F. / Navarro, S. / Velazquez-Campoy, A. / Busque, F. / Almeida, M.R. / Alibes, R. / Reverter, D. ...Pinheiro, F. / Varejao, N. / Sanchez-Morales, A. / Bezerra, F. / Navarro, S. / Velazquez-Campoy, A. / Busque, F. / Almeida, M.R. / Alibes, R. / Reverter, D. / Pallares, I. / Ventura, S.
External linksEur. J. Med. Chem. / PubMed:37837673
MethodsX-ray diffraction
Resolution1.2 - 1.85 Å
Structure data

PDB-8pm8:
V30M Transthyretin structure in complex with Tolcalpone
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-8pm9:
Crystal structure of human wild type transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8pma:
Crystal structure of human V30M transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8pmo:
Crystal structure of human V122I transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

Chemicals

ChemComp-TCW:
Tolcapone / medication, inhibitor*YM

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-ZP2:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSPORT PROTEIN / Aggregation / Inhibitor / Amyloid / PROTEIN TRANSPORT / T4 hormone binding

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