タイトル | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. |
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ジャーナル・号・ページ | Plos Biol., Vol. 3, Page 324-334, Year 2005 |
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掲載日 | 2004年8月18日 (構造データの登録日) |
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著者 | Yang, H. / Xie, W. / Xue, X. / Yang, K. / Ma, J. / Liang, W. / Zhao, Q. / Zhou, Z. / Pei, D. / Ziebuhr, J. ...Yang, H. / Xie, W. / Xue, X. / Yang, K. / Ma, J. / Liang, W. / Zhao, Q. / Zhou, Z. / Pei, D. / Ziebuhr, J. / Hilgenfeld, R. / Yuen, K.Y. / Wong, L. / Gao, G. / Chen, S. / Chen, Z. / Ma, D. / Bartlam, M. / Rao, Z. |
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リンク | Plos Biol. / PubMed:16128623 |
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手法 | X線回折 |
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解像度 | 1.85 - 2.7 Å |
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構造データ | PDB-1wof: Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-2amd: Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-2amp: Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-2amq: Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2d2d: Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å |
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化合物 | ChemComp-I12: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
ChemComp-9IN: N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
ChemComp-ENB: ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
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由来 | - sars coronavirus (SARS コロナウイルス)
- transmissible gastroenteritis virus (伝染性胃腸炎ウイルス)
- synthetic construct (人工物)
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キーワード | HYDROLASE / ANTI-PARALLEL B-BARREL / ANTI-PARALLEL A-HELICES |
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