タイトル | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. |
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ジャーナル・号・ページ | Bioorg. Med. Chem. Lett., Vol. 21, Page 5171-5176, Year 2011 |
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掲載日 | 2011年7月6日 (構造データの登録日) |
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著者 | Li, X. / Hilgers, M. / Cunningham, M. / Chen, Z. / Trzoss, M. / Zhang, J. / Kohnen, L. / Lam, T. / Creighton, C. / Gc, K. ...Li, X. / Hilgers, M. / Cunningham, M. / Chen, Z. / Trzoss, M. / Zhang, J. / Kohnen, L. / Lam, T. / Creighton, C. / Gc, K. / Nelson, K. / Kwan, B. / Stidham, M. / Brown-Driver, V. / Shaw, K.J. / Finn, J. |
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リンク | Bioorg. Med. Chem. Lett. / PubMed:21831637 |
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手法 | X線回折 |
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解像度 | 1.5 - 1.7 Å |
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構造データ | PDB-3sqy: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-3sr5: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-3srq: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-3srr: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3srs: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3sru: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3srw: S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å |
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化合物 | ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChemComp-Q11: 7-(2-methoxyphenyl)quinazoline-2,4-diamine
ChemComp-Q12: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
ChemComp-Q19: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
ChemComp-Q20: 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde
ChemComp-M23: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
ChemComp-Q26: N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
ChemComp-Q27: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
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由来 | - staphylococcus aureus (黄色ブドウ球菌)
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キーワード | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / dihydrofolate reductase / DHFR / drug design / enzyme inhibitors / folate / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex |
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