タイトル | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. |
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ジャーナル・号・ページ | Acs Cent. Sci., Vol. 9, Page 937-946, Year 2023 |
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掲載日 | 2022年6月16日 (構造データの登録日) |
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著者 | Kenanova, D.N. / Visser, E.J. / Virta, J.M. / Sijbesma, E. / Centorrino, F. / Vickery, H.R. / Zhong, M. / Neitz, R.J. / Brunsveld, L. / Ottmann, C. / Arkin, M.R. |
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リンク | Acs Cent. Sci. / PubMed:37252362 |
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手法 | X線回折 |
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解像度 | 1.36 - 1.7 Å |
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構造データ | PDB-8a62: Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8a65: Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8a68: Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8a6f: Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8a6h: Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8adm: Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-8afn: Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-8av0: small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å |
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化合物 | ChemComp-L7L: (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
ChemComp-L70: (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
ChemComp-L7U: ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
ChemComp-O56: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
ChemComp-L6L: 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one
ChemComp-O6C: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | STRUCTURAL PROTEIN / 14-3-3 / FOXO1 / Stabilization / C-RAF / SIGNALING PROTEIN / 14-3-3 sigma / Usp8 / small molecule stabilizer / ERalpha / SURFACTANT PROTEIN / PPI stabilization / disulfide tethering |
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