タイトル | Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors |
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ジャーナル・号・ページ | Chem. Biol. Drug Des., Vol. 73, Page 62-74, Year 2009 |
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掲載日 | 2008年9月4日 (構造データの登録日) |
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著者 | Liu, J. / Bolstad, D.B. / Smith, A.E. / Priestley, N.D. / Wright, D.L. / Anderson, A.C. |
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リンク | Chem. Biol. Drug Des. / PubMed:19152636 |
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手法 | X線回折 |
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解像度 | 1.95 - 2.11 Å |
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構造データ | PDB-3eej: Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-phenylphenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D) and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-3eek: Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-3eel: Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP11153TM) and NADPH 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-3eem: Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D26M) and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å |
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化合物 | ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH
ChemComp-53R: 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
ChemComp-53S: 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
ChemComp-53T: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
ChemComp-53V: 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
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由来 | candida glabrata (菌類)
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キーワード | OXIDOREDUCTASE / enzyme |
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