タイトル | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. |
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ジャーナル・号・ページ | Acs Infect Dis., Vol. 6, Page 1480-1489, Year 2020 |
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掲載日 | 2019年6月6日 (構造データの登録日) |
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著者 | Ma, X. / Prathapam, R. / Wartchow, C. / Chie-Leon, B. / Ho, C.M. / De Vicente, J. / Han, W. / Li, M. / Lu, Y. / Ramurthy, S. ...Ma, X. / Prathapam, R. / Wartchow, C. / Chie-Leon, B. / Ho, C.M. / De Vicente, J. / Han, W. / Li, M. / Lu, Y. / Ramurthy, S. / Shia, S. / Steffek, M. / Uehara, T. |
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リンク | Acs Infect Dis. / PubMed:31402665 |
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手法 | X線回折 |
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解像度 | 1.4 - 2 Å |
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構造データ | PDB-6p83: E.coli LpxD in complex with compound 1o 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6p84: E.coli LpxD in complex with compound 2o 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6p85: E.coli LpxD in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6p86: E.coli LpxD in complex with compound 4.1 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6p87: E.coli LpxD in complex with compound 5 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6p88: E.coli LpxD in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6p89: E.coli LpxD in complex with compound 7 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6p8a: E.coli LpxD in complex with compound 8.1 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6p8b: E.coli LpxD in complex with peptide FITC-RJPXD33 手法: X-RAY DIFFRACTION / 解像度: 2 Å |
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化合物 | ChemComp-O3Y: 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
ChemComp-O3V: 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
ChemComp-O4V: 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine
ChemComp-O4S: N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
ChemComp-O4P: N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide
ChemComp-O4G: N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
ChemComp-O4A: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
ChemComp-O4D: 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
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由来 | - escherichia coli (大腸菌)
- phage display vector pdvec0 (その他)
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キーワード | TRANSFERASE/INHIBITOR / lps synthesis / TRANSFERASE / TRANSFERASE-INHIBITOR complex |
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