タイトル | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. |
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ジャーナル・号・ページ | Acs Chem. Biol., Vol. 17, Page 816-821, Year 2022 |
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掲載日 | 2022年1月27日 (構造データの登録日) |
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著者 | Dahms, S.O. / Schnapp, G. / Winter, M. / Buttner, F.H. / Schleputz, M. / Gnamm, C. / Pautsch, A. / Brandstetter, H. |
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リンク | Acs Chem. Biol. / PubMed:35377598 |
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手法 | X線回折 |
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解像度 | 1.45 - 1.8 Å |
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構造データ | PDB-7qxy: X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3 手法: X-RAY DIFFRACTION / 解像度: 1.478 Å PDB-7qxz: X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7qy0: X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-7qy1: X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7qy2: X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å |
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化合物 | ChemComp-I1G: 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate
ChemComp-I0M: 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid
ChemComp-I0T: N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
ChemComp-I0W: 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate
ChemComp-I0Q: (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate
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由来 | - homo sapiens (ヒト)
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キーワード | HYDROLASE / proprotein convertase / inhibitor / SARS-CoV-2 / protease / complex / furin |
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