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Structure paper

TitleStructure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Journal, issue, pagesEnviron. Sci. Technol., Vol. 50, Page 11984-11993, Year 2016
Publish dateApr 22, 2016 (structure data deposition date)
AuthorsZhang, J. / Begum, A. / Brannstrom, K. / Grundstrom, C. / Iakovleva, I. / Olofsson, A. / Sauer-Eriksson, A.E. / Andersson, P.L.
External linksEnviron. Sci. Technol. / PubMed:27668830
MethodsX-ray diffraction
Resolution1.2 - 1.62 Å
Structure data

PDB-5jid:
Crystal Structure of Human Transthyretin in Complex with Perfluorooctanoic acid (PFOA)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5jim:
Crystal Structure of Human Transthyretin in Complex with Perfluoroktansulfonsyra (PFOS)
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-5jiq:
Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-5l4f:
Crystal Structure of Human Transthyretin in Complex with 2,6-Dinitro-p-cresol (DNPC)
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

PDB-5l4i:
Crystal Structure of Human Transthyretin in Complex with Clonixin
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-5l4j:
Crystal Structure of Human Transthyretin in Complex with 4,4'-Dihydroxydiphenyl sulfone (Bisphenol S, BPS)
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5l4m:
Crystal Structure of Human Transthyretin in Complex with 3,5,6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr)
Method: X-RAY DIFFRACTION / Resolution: 1.581 Å

Chemicals

ChemComp-8PF:
pentadecafluorooctanoic acid

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-P8S:
heptadecafluoro-1-octanesulfonic acid

ChemComp-27M:
bis(2,4-dihydroxyphenyl)methanone

ChemComp-GOL:
GLYCEROL

ChemComp-6J1:
2,6-Dinitro-p-cresol

ChemComp-6J3:
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid / antiinflammatory, inhibitor*YM

ChemComp-6JD:
4-(4-hydroxyphenyl)sulfonylphenol

ChemComp-SBK:
Triclopyr

Source
  • homo sapiens (human)
KeywordsTRANSPORT PROTEIN / thyroxine binding / Perfluorooctanoic acid(PFOA)complex / Perfluoroktansulfonsyra (PFOS)complex / 2 / 2' / 4 / 4'-tetrahydroxybenzophenone (BP2) / 6-Dinitro-p-cresol (DNPC)complex / Clonixin complex / 4'-Dihydroxydiphenyl sulfone (Bisphenol S / BPS) complex / 3 / 5 / 6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr) complex

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