タイトル | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. |
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ジャーナル・号・ページ | Acs Chem. Biol., Vol. 8, Page 2501-2508, Year 2013 |
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掲載日 | 2013年7月11日 (構造データの登録日) |
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著者 | Bauman, J.D. / Patel, D. / Baker, S.F. / Vijayan, R.S. / Xiang, A. / Parhi, A.K. / Martinez-Sobrido, L. / Lavoie, E.J. / Das, K. / Arnold, E. |
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リンク | Acs Chem. Biol. / PubMed:23978130 |
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手法 | X線回折 |
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解像度 | 1.4 - 2.502 Å |
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構造データ | PDB-4ln7: 5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-4m4q: 6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease 手法: X-RAY DIFFRACTION / 解像度: 2.502 Å PDB-4m5o: 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4m5q: High-resolution apo influenza 2009 H1N1 endonuclease structure 手法: X-RAY DIFFRACTION / 解像度: 1.534 Å PDB-4m5r: High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-4m5v: Influenza 2009 H1N1 endonuclease with 100 millimolar calcium 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4mk1: 5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4mk2: 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile bound to influenza 2009 pH1N1 endonuclease 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4mk5: 6-(3-methoxyphenyl)pyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å |
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化合物 | ChemComp-1ZQ: 5,6-bis(4-fluorophenyl)pyridine-2,3-diol
ChemComp-21A: 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol
ChemComp-28B: 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
ChemComp-28A: 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one
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由来 | - influenza a virus (a/lima/wrair1695p/2009(h1n1)) (A型インフルエンザウイルス)
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キーワード | RNA BINDING PROTEIN/INHIBITOR / CAP-SNATCHING / RNA BINDING PROTEIN-INHIBITOR / RNA BINDING PROTEIN-INHIBITOR complex / RNA BINDING PROTEIN |
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