タイトル | Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 59, Page 6493-6500, Year 2016 |
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掲載日 | 2016年3月15日 (構造データの登録日) |
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著者 | Reeve, S.M. / Scocchera, E. / Ferreira, J.J. / G-Dayanandan, N. / Keshipeddy, S. / Wright, D.L. / Anderson, A.C. |
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リンク | J. Med. Chem. / PubMed:27308944 |
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手法 | X線回折 |
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解像度 | 1.723 - 1.9 Å |
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構造データ | PDB-5isp: Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-5isq: Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5ist: Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) 手法: X-RAY DIFFRACTION / 解像度: 1.723 Å |
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化合物 | ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChemComp-U06: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
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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 / Dihydrofolate Reductase / NADPH / Zwitterion / Antibiotics |
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