タイトル | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. |
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ジャーナル・号・ページ | Nat Commun, Vol. 14, Page 7574-7574, Year 2023 |
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掲載日 | 2022年6月1日 (構造データの登録日) |
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著者 | Wang, H. / Yang, Q. / Liu, X. / Xu, Z. / Shao, M. / Li, D. / Duan, Y. / Tang, J. / Yu, X. / Zhang, Y. ...Wang, H. / Yang, Q. / Liu, X. / Xu, Z. / Shao, M. / Li, D. / Duan, Y. / Tang, J. / Yu, X. / Zhang, Y. / Hao, A. / Wang, Y. / Chen, J. / Zhu, C. / Guddat, L. / Chen, H. / Zhang, L. / Chen, X. / Jiang, B. / Sun, L. / Rao, Z. / Yang, H. |
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リンク | Nat Commun / PubMed:37990007 |
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手法 | X線回折 |
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解像度 | 1.55 - 2.6 Å |
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構造データ | PDB-7xyd: Crystal structure of TMPRSS2 in complex with Nafamostat 手法: X-RAY DIFFRACTION / 解像度: 2.58 Å PDB-7y0e: Crystal structure of TMPRSS2 in complex with Camostat 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å PDB-7y0f: Crystal structure of TMPRSS2 in complex with UK-371804 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-8hd8: Crystal structure of TMPRSS2 in complex with 212-148 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-8he9: Crystal structure of CTSB in complex with K777 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-8hei: Crystal structure of CTSB in complex with E64d 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-8hen: Crystal structure of CTSB in complex with 212-148 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-8het: Crystal structure of CTSL in complex with E64d 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-8hfv: Crystal structure of CTSL in complex with K777 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å |
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化合物 | ChemComp-I9V: 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid
ChemComp-0IW: Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide
ChemComp-E6D: ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
ChemComp-L4F: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate
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由来 | - homo sapiens (ヒト)
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キーワード | HYDROLASE / Inhibitor / Complex / Host / Antiviral / ANTIVIRAL PROTEIN / ANTIVIRAL PROTEIN/INHIBITOR / protease / ANTIVIRAL PROTEIN-INHIBITOR complex |
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