タイトル | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. |
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ジャーナル・号・ページ | Biorxiv, Year 2021 |
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掲載日 | 2021年1月8日 (構造データの登録日) |
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著者 | Shen, Z. / Ratia, K. / Cooper, L. / Kong, D. / Lee, H. / Kwon, Y. / Li, Y. / Alqarni, S. / Huang, F. / Dubrovskyi, O. ...Shen, Z. / Ratia, K. / Cooper, L. / Kong, D. / Lee, H. / Kwon, Y. / Li, Y. / Alqarni, S. / Huang, F. / Dubrovskyi, O. / Rong, L. / Thatcher, G.R. / Xiong, R. |
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リンク | Biorxiv / PubMed:33594371 |
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手法 | X線回折 |
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解像度 | 2.2 - 2.9 Å |
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構造データ | PDB-7lbr: SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7lbs: SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-7llf: SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7llz: SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-7los: SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å |
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化合物 | ChemComp-XT7: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
ChemComp-XR8: 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide
ChemComp-Y54: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
ChemComp-Y61: N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
ChemComp-Y97: 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
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由来 | - severe acute respiratory syndrome coronavirus 2 (SARSコロナウイルス2)
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キーワード | VIRAL PROTEIN/INHIBITOR (ウイルス性) / papain-like protease (パパイン様プロテアーゼ) / coronavirus inhibitor / SARS-CoV-2 (SARSコロナウイルス2) / VIRAL PROTEIN (ウイルスタンパク質) / VIRAL PROTEIN-INHIBITOR complex (ウイルス性) |
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