タイトル | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 61, Page 1921-1933, Year 2018 |
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掲載日 | 2017年6月5日 (構造データの登録日) |
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著者 | McKimm-Breschkin, J.L. / Barrett, S. / Pilling, P.A. / Hader, S. / Watts, A.G. / Streltsov, V.A. |
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リンク | J. Med. Chem. / PubMed:29397718 |
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手法 | X線回折 |
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解像度 | 1.85 - 2.39 Å |
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構造データ | PDB-5w26: INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5w2u: INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-5w2w: INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 8-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5w2y: INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å |
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化合物 | ChemComp-9SG: (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
ChemComp-9WM: (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
ChemComp-9VP: 5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
ChemComp-9SM: (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
ChemComp-9S4: (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
ChemComp-9SJ: 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
ChemComp-9SP: (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
ChemComp-9SD: (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
ChemComp-9S7: 5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
ChemComp-9T7: (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
ChemComp-9TM: (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
ChemComp-9T1: 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
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由来 | influenza a virus (strain a/tern/australia/g70c/1975 h11n9) (A型インフルエンザウイルス)
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キーワード | hydrolase/hydrolase inhibitor / INFLUENZA VIRUS NEURAMINIDASE / N9 / COMPLEX / 4-DEOXYGENATED 2 / 3-DIFLUORO-N-ACETYLNEURAMINIC ACID / SECOND BINDING SITE / HYDROLASE / hydrolase-hydrolase inhibitor complex / 7-deoxy 2 / 3-DIFLUOROSIALIC ACID / 2 |
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