タイトル | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. |
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ジャーナル・号・ページ | ACS Infect Dis, Vol. 4, Page 325-336, Year 2018 |
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掲載日 | 2017年6月26日 (構造データの登録日) |
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著者 | Bouza, A.A. / Swanson, H.C. / Smolen, K.A. / VanDine, A.L. / Taracila, M.A. / Romagnoli, C. / Caselli, E. / Prati, F. / Bonomo, R.A. / Powers, R.A. / Wallar, B.J. |
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リンク | ACS Infect Dis / PubMed:29144724 |
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手法 | X線回折 |
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解像度 | 1.804 - 2.09 Å |
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構造データ | PDB-5wac: ADC-7 in complex with boronic acid transition state inhibitor CR157 手法: X-RAY DIFFRACTION / 解像度: 2.061 Å PDB-5wad: ADC-7 in complex with boronic acid transition state inhibitor CR161 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-5wae: ADC-7 in complex with boronic acid transition state inhibitor CR167 手法: X-RAY DIFFRACTION / 解像度: 1.804 Å PDB-5waf: ADC-7 in complex with boronic acid transition state inhibitor CR192 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5wag: ADC-7 in complex with boronic acid transition state inhibitor S06017 手法: X-RAY DIFFRACTION / 解像度: 1.931 Å |
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化合物 | ChemComp-A1M: phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
ChemComp-QQZ: phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
ChemComp-A1J: 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
ChemComp-A0Y: phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
ChemComp-A0V: 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
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由来 | acinetobacter baumannii (バクテリア)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / inhibitor / Beta-lactamase / BATSI / ADC-7 / ANTIMICROBIAL PROTEIN / HYDROLASE-HYDROLASE INHIBITOR complex |
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