タイトル | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 10, Page 650-655, Year 2019 |
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掲載日 | 2018年11月30日 (構造データの登録日) |
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著者 | Cendron, L. / Quotadamo, A. / Maso, L. / Bellio, P. / Montanari, M. / Celenza, G. / Venturelli, A. / Costi, M.P. / Tondi, D. |
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リンク | Acs Med. Chem. Lett. / PubMed:30996812 |
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手法 | X線回折 |
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解像度 | 1 - 1.5 Å |
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構造データ | PDB-6ibs: Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6 手法: X-RAY DIFFRACTION / 解像度: 1.37 Å PDB-6ibv: Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6q2y: Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-6q30: Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6q35: Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å |
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化合物 | ChemComp-HB8: [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
ChemComp-H9E: [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
ChemComp-HCQ: [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤*YM
ChemComp-HCH: (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
ChemComp-HD5: [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
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由来 | - klebsiella pneumoniae (肺炎桿菌)
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キーワード | HYDROLASE / beta-lactamase; bacterial resistance; acyclic boronic inhibitors |
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