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Structure paper

TitleLSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
Journal, issue, pagesSci Adv, Vol. 7, Year 2021
Publish dateJan 28, 2021 (structure data deposition date)
AuthorsBaba, R. / Matsuda, S. / Arakawa, Y. / Yamada, R. / Suzuki, N. / Ando, T. / Oki, H. / Igaki, S. / Daini, M. / Hattori, Y. ...Baba, R. / Matsuda, S. / Arakawa, Y. / Yamada, R. / Suzuki, N. / Ando, T. / Oki, H. / Igaki, S. / Daini, M. / Hattori, Y. / Matsumoto, S. / Ito, M. / Nakatani, A. / Kimura, H.
External linksSci Adv / PubMed:33712455
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-7e0g:
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-HUF:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

ChemComp-GOL:
GLYCEROL

ChemComp-IMD:
IMIDAZOLE

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Inhibitor / TAK-418 / FAD-adduct

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