タイトル | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 30, Page 115898-115898, Year 2021 |
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掲載日 | 2019年10月17日 (構造データの登録日) |
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著者 | Vella, P. / Rudraraju, R.S. / Lundback, T. / Axelsson, H. / Almqvist, H. / Vallin, M. / Schneider, G. / Schnell, R. |
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リンク | Bioorg. Med. Chem. / PubMed:33388594 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.65 Å |
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構造データ | PDB-6t5x: Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6t60: Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-6t62: Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6t65: Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-6t6n: Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6t6p: Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-6t77: Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-6t7m: Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å |
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化合物 | ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH
ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChemComp-MLH: ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
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由来 | - salmonella typhimurium (strain lt2 / sgsc1412 / atcc 700720) (サルモネラ菌)
- acinetobacter baumannii (バクテリア)
- klebsiella pneumoniae 30684/njst258_2 (肺炎桿菌)
- klebsiella pneumoniae (肺炎桿菌)
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キーワード | BIOSYNTHETIC PROTEIN / Fatty acid biosynthesis / FabG / (3-oxoacyl-(Acyl-carrier-protein) reductase) / NADP / NADPH / complex / FAS-II / ligand complex / NADH |
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