| タイトル | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. |
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| ジャーナル・号・ページ | Antimicrob. Agents Chemother., Vol. 55, Page 174-183, Year 2011 |
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| 掲載日 | 2010年4月14日 (構造データの登録日) |
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著者 | Ke, W. / Sampson, J.M. / Ori, C. / Prati, F. / Drawz, S.M. / Bethel, C.R. / Bonomo, R.A. / van den Akker, F. |
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リンク | Antimicrob. Agents Chemother. / PubMed:21041505 |
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| 手法 | X線回折 |
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| 解像度 | 1.24 - 1.75 Å |
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| 構造データ | PDB-3mke: SHV-1 beta-lactamase complex with LP06 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-3mkf: SHV-1 beta-lactamase complex with GB0301 手法: X-RAY DIFFRACTION / 解像度: 1.33 Å PDB-3mxr: SHV-1 beta-lactamase complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-3mxs: SHV-1 beta-lactamase complex with compound 2 手法: X-RAY DIFFRACTION / 解像度: 1.24 Å |
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| 化合物 | ChemComp-CB4: PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
ChemComp-CZ6: 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid
ChemComp-CZ7: ({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid
ChemComp-CZ8: ({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid
ChemComp-CZ9: N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide
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| 由来 | klebsiella pneumoniae (肺炎桿菌)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / BETA-LACTAMASE / BORONIC ACID TRANSITION STATE INHIBITOR / DRUG DESIGN / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex |
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