タイトル | Docking for fragment inhibitors of AmpC beta-lactamase |
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ジャーナル・号・ページ | Proc. Natl. Acad. Sci. USA, Vol. 106, Page 7455-7460, Year 2009 |
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掲載日 | 2009年3月24日 (構造データの登録日) |
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著者 | Teotico, D.G. / Babaoglu, K. / Rocklin, G.J. / Ferreira, R.S. / Giannetti, A.M. / Shoichet, B.K. |
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リンク | Proc. Natl. Acad. Sci. USA / PubMed:19416920 |
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手法 | X線回折 |
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解像度 | 1.8 - 2.49 Å |
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構造データ | PDB-3gqz: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3gr2: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3grj: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-3gsg: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3gtc: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-3gv9: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3gvb: AmpC beta-lactamase in complex with Fragment-based Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å |
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化合物 | ChemComp-GF7: (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
ChemComp-GF4: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one
ChemComp-GF1: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid
ChemComp-GTC: (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
ChemComp-GV9: 3-(acetylamino)thiophene-2-carboxylic acid
ChemComp-3GV: (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
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由来 | - escherichia coli (大腸菌)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / Hydrolase / Lactamase / Fragment / Antibiotic resistance / Periplasm / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / AmpC |
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