タイトル | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 55, Page 2163-2172, Year 2012 |
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掲載日 | 2012年1月19日 (構造データの登録日) |
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著者 | Nichols, D.A. / Jaishankar, P. / Larson, W. / Smith, E. / Liu, G. / Beyrouthy, R. / Bonnet, R. / Renslo, A.R. / Chen, Y. |
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リンク | J. Med. Chem. / PubMed:22296601 |
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手法 | X線回折 |
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解像度 | 1.12 - 1.44 Å |
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構造データ | PDB-4dds: CTX-M-9 class A beta-lactamase complexed with compound 11 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-4ddy: CTX-M-9 class A beta-lactamase complexed with compound 10 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-4de0: CTX-M-9 class A beta-lactamase complexed with compound 16 手法: X-RAY DIFFRACTION / 解像度: 1.12 Å PDB-4de1: CTX-M-9 class A beta-lactamase complexed with compound 18 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-4de2: CTX-M-9 class A beta-lactamase complexed with compound 12 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-4de3: CTX-M-9 class A beta-lactamase complexed with compound 4 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å |
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化合物 | ChemComp-0J7: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
ChemComp-DN6: N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
ChemComp-0JB: N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
ChemComp-0J6: N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
ChemComp-DN3: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
ChemComp-DN8: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
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由来 | - escherichia coli (大腸菌)
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キーワード | Hydrolase/hydrolase inhibitor / CTX-M / molecular docking / fragment / Hydrolase-hydrolase inhibitor complex / inhibitor / beta-lactamase |
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