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TitleDiscovery and binding mode of a small molecule inhibitor of the apo form of human TDO2
Journal, issue, pagesBiorxiv, Year 2024
Publish dateOct 17, 2023 (structure data deposition date)
AuthorsLotz-Jenne, C. / Lange, R. / Cren, S. / Bourquin, G. / Goglia, L. / Kimmerlin, T. / Wicki, M. / Mueller, M. / Artico, N. / Ackerknecht, S. ...Lotz-Jenne, C. / Lange, R. / Cren, S. / Bourquin, G. / Goglia, L. / Kimmerlin, T. / Wicki, M. / Mueller, M. / Artico, N. / Ackerknecht, S. / Joesch, C. / Mac Sweeney, A.
External linksBiorxiv / Search PubMed
MethodsX-ray diffraction
Resolution2.62 - 3.078 Å
Structure data

PDB-8qv7:
Crystal structure of human TDO with alpha-methyl-L-tryptophan
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

PDB-8r5q:
Structure of apo TDO with a bound inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-8r5r:
Structure of apo TDO with a bound inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.078 Å

Chemicals

ChemComp-ZIQ:
alpha-methyl-L-tryptophan

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-Y5N:
3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Inhibitor / Apo / Heme

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