タイトル | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. |
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ジャーナル・号・ページ | Plos One, Vol. 16, Page e0245013-e0245013, Year 2021 |
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掲載日 | 2020年2月16日 (構造データの登録日) |
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著者 | Zhang, S. / Garzan, A. / Haese, N. / Bostwick, R. / Martinez-Gzegozewska, Y. / Rasmussen, L. / Streblow, D.N. / Haise, M.T. / Pathak, A.K. / Augelli-Szafran, C.E. / Wu, M. |
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リンク | Plos One / PubMed:33482665 |
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手法 | X線回折 |
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解像度 | 1.64 - 2.34 Å |
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構造データ | PDB-6vuq: Crystal structure of CHIKV nsP3 macrodomain soaked with ADP-ribose 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-6w0t: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-6w7h: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-6w8k: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6w8m: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-6w8q: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 2.34 Å PDB-6w8y: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6w8z: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6w91: Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å |
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化合物 | ChemComp-S6Y: 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid
ChemComp-TEV: 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
ChemComp-TJ4: 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
ChemComp-TJY: 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
ChemComp-TJS: 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
ChemComp-TJD: methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
ChemComp-TJP: methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
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由来 | - chikungunya virus (チクングニヤウイルス)
- chikungunya virus (strain 37997) (ウイルス)
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キーワード | VIRAL PROTEIN / nsP3 / macrodomain / Chikungunya virus / pyrimidone fragments |
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