タイトル | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 125, Page 865-880, Year 2016 |
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掲載日 | 2015年10月15日 (構造データの登録日) |
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著者 | Benmansour, F. / Trist, I. / Coutard, B. / Decroly, E. / Querat, G. / Brancale, A. / Barral, K. |
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リンク | Eur. J. Med. Chem. / PubMed:27750202 |
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手法 | X線回折 |
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解像度 | 1.303 - 2.02 Å |
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構造データ | PDB-5e9q: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-5ec8: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175 手法: X-RAY DIFFRACTION / 解像度: 1.714 Å PDB-5ehg: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-5ehi: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287 手法: X-RAY DIFFRACTION / 解像度: 1.303 Å PDB-5eif: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5eiw: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2 手法: X-RAY DIFFRACTION / 解像度: 1.611 Å PDB-5ekx: DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å |
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化合物 | ChemComp-5KY: 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
ChemComp-5LP: 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
ChemComp-5O0: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid
ChemComp-5O3: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid
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由来 | dengue virus 3 (デング熱ウイルス) dengue virus type 3 (strain philippines/h87/1956) (デング熱ウイルス) dengue virus type 3 (デング熱ウイルス)
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キーワード | TRANSFERASE / DENGUE VIRUS / NS5 METHYLTRANSFERASE / FRAGMENT-BASED DRUG DISCOVERY / VIRAL PROTEIN / Fragment-based drug design Dengue virus / NS5 methyltransferase dengue virus / fragment-based drug design |
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