| タイトル | Covalent adduct Grob fragmentation underlies LSD1 demethylase-specific inhibitor mechanism of action and resistance. |
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| ジャーナル・号・ページ | Nat Commun, Vol. 16, Page 3156-3156, Year 2025 |
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| 掲載日 | 2022年11月15日 (構造データの登録日) |
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著者 | Waterbury, A.L. / Caroli, J. / Zhang, O. / Tuttle, P.R. / Liu, C. / Li, J. / Park, J.S. / Hoenig, S.M. / Barone, M. / Furui, A. ...Waterbury, A.L. / Caroli, J. / Zhang, O. / Tuttle, P.R. / Liu, C. / Li, J. / Park, J.S. / Hoenig, S.M. / Barone, M. / Furui, A. / Mattevi, A. / Liau, B.B. |
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リンク | Nat Commun / PubMed:40175327 |
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| 手法 | X線回折 |
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| 解像度 | 2.72 - 3.41 Å |
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| 構造データ | PDB-8bop: LSD1-CoREST in complex with AW4, long soaking 手法: X-RAY DIFFRACTION / 解像度: 2.74 Å PDB-8box: LSD1-CoREST in complex with AW4 and SNAG peptide 手法: X-RAY DIFFRACTION / 解像度: 2.82 Å PDB-8f2z: LSD1-CoREST in complex with AW2, short soaking 手法: X-RAY DIFFRACTION / 解像度: 3 Å PDB-8f30: LSD1-CoREST in complex with AW2, long soaking 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å PDB-8f59: LSD1-CoREST in complex with AW2 and SNAG peptide 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-8f6s: LSD1-CoREST in complex with T105 手法: X-RAY DIFFRACTION / 解像度: 2.91 Å PDB-8fdv: LSD1-CoREST in complex N-formyl FAD and SNAG peptide 手法: X-RAY DIFFRACTION / 解像度: 2.95 Å PDB-8fj4: LSD1-CoREST in complex with T108, short soaking 手法: X-RAY DIFFRACTION / 解像度: 2.76 Å PDB-8fj7: LSD1-CoREST in complex with T108 and SNAG peptide 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-8fqj: LSD1-CoREST in complex with T14, short soaking 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-8fri: LSD1-CoREST in complex with AW4, short soaking 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-8frq: LSD1-CoREST in complex with T14, long soaking 手法: X-RAY DIFFRACTION / 解像度: 2.89 Å PDB-8frv: LSD1-CoREST in complex with T17, short soaking 手法: X-RAY DIFFRACTION / 解像度: 2.72 Å PDB-8fsk: LSD1-CoREST in complex with T18, short soaking 手法: X-RAY DIFFRACTION / 解像度: 3.13 Å PDB-8gj6: LSD1-CoREST in complex with T16 手法: X-RAY DIFFRACTION / 解像度: 2.77 Å PDB-8ul6: LSD1-CoREST in complex with T16, long soaking 手法: X-RAY DIFFRACTION / 解像度: 2.74 Å PDB-8ul8: LSD1-CoREST in complex with T15, short soaking 手法: X-RAY DIFFRACTION / 解像度: 2.82 Å PDB-8ulb: LSD1-CoREST in complex with T17, long soaking 手法: X-RAY DIFFRACTION / 解像度: 3.41 Å PDB-8ulc: LSD1-CoREST in complex with T15, long soaking 手法: X-RAY DIFFRACTION / 解像度: 2.82 Å PDB-8ulz: LSD1-CoREST in complex with T18 and SNAG peptide 手法: X-RAY DIFFRACTION / 解像度: 3.32 Å PDB-8umq: LSD1-CoREST in complex with T18, long soaking 手法: X-RAY DIFFRACTION / 解像度: 3.26 Å PDB-8uni: LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tail 手法: X-RAY DIFFRACTION / 解像度: 3.4 Å PDB-8uom: LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tail 手法: X-RAY DIFFRACTION / 解像度: 3.2 Å PDB-9el7: LSD1-CoREST in complex with T105 enantiomer (1R,2S) 手法: X-RAY DIFFRACTION / 解像度: 2.87 Å PDB-9el8: LSD1-CoREST in complex with T105 1S2R enantiomer 手法: X-RAY DIFFRACTION / 解像度: 2.91 Å PDB-9ela: LSD1-CoREST in complex with T108, long soaking 手法: X-RAY DIFFRACTION / 解像度: 2.85 Å |
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| 化合物 | 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
PDB-1bi4: CATALYTIC DOMAIN OF HIV-1 INTEGRASE
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| 由来 | homo sapiens (ヒト)
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キーワード | OXIDOREDUCTASE / demethylase / histone / splicing / epigenetics / Histone demethylase / Drug resistance / Covalent inhibitor / OXIDOREDUCTASE/INHIBITOR / OXIDOREDUCTASE-INHIBITOR complex |
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