タイトル | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 12, Page 976-982, Year 2021 |
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掲載日 | 2020年12月14日 (構造データの登録日) |
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著者 | Sijbesma, E. / Hallenbeck, K.K. / Andrei, S.A. / Rust, R.R. / Adriaans, J.M.C. / Brunsveld, L. / Arkin, M.R. / Ottmann, C. |
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リンク | Acs Med. Chem. Lett. / PubMed:34136078 |
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手法 | X線回折 |
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解像度 | 1.1 - 1.7 Å |
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構造データ | PDB-7b9m: Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7b9r: Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7b9t: Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7ba3: Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-7ba5: Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7ba6: Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-7ba7: Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7ba8: Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-7ba9: Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-7baa: Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-7bab: Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å |
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化合物 | ChemComp-T4W: 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide
ChemComp-T4Q: 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide
ChemComp-T4Z: 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
ChemComp-T5N: 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T5T: 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T5Q: 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T5W: 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T6H: 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T6N: 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T5Z: 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ChemComp-T6W: 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
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由来 | homo sapiens (ヒト)
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キーワード | SIGNALING PROTEIN / protein-protein interaction; stabilization; hub protein; transcription factor / protein-protein interaction / stabilizer / hub protein / transcription factor |
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