タイトル | Overcoming insecticide resistance through computational inhibitor design. |
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ジャーナル・号・ページ | Proc. Natl. Acad. Sci. USA, Vol. 116, Page 21012-21021, Year 2019 |
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掲載日 | 2016年11月20日 (構造データの登録日) |
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著者 | Correy, G.J. / Zaidman, D. / Harmelin, A. / Carvalho, S. / Mabbitt, P.D. / Calaora, V. / James, P.J. / Kotze, A.C. / Jackson, C.J. / London, N. |
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リンク | Proc. Natl. Acad. Sci. USA / PubMed:31575743 |
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手法 | X線回折 |
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解像度 | 1.531 - 1.88 Å |
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構造データ | PDB-5tyj: alpha-esterase-7 in complex with (3-bromo-5-phenoxylphenyl)boronic acid 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5tyk: alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5tyl: alpha-esterase-7 in complex with naphthalen-2-ylboronic acid 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5tym: alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-5tyn: alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid 手法: X-RAY DIFFRACTION / 解像度: 1.531 Å PDB-5tyo: alpha-esterase-7 in complex with [3-(benzyloxy)-4-methylphenyl]borinic acid 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-5typ: alpha-esterase-7 in complex with (3-bromo-4-methylphenyl)boronic acid 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å |
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化合物 | ChemComp-7N4: {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
ChemComp-7NS: [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
ChemComp-7NM: [3-(benzyloxy)-4-methylphenyl]borinic acid
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由来 | lucilia cuprina (ヒツジキンバエ)
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キーワード | hydrolase/hydrolase inhibitor / carboxylesterase / insecticide resistance / covalent inhibitor / organophosphate / hydrolase-hydrolase inhibitor complex |
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