EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
ジャーナル・号・ページ	Biochim. Biophys. Acta, Vol. 1860, Page 1299-1307, Year 2016
掲載日	2015年9月12日 (構造データの登録日)
著者	Wu, C. / Zhang, L. / Li, P. / Cai, Q. / Peng, X. / Yin, K. / Chen, X. / Ren, H. / Zhong, S. / Weng, Y. ...Wu, C. / Zhang, L. / Li, P. / Cai, Q. / Peng, X. / Yin, K. / Chen, X. / Ren, H. / Zhong, S. / Weng, Y. / Guan, Y. / Chen, S. / Wu, J. / Li, J. / Lin, T.
リンク	Biochim. Biophys. Acta / PubMed:26987809
手法	X線回折
解像度	1.9 - 3.01 Å
構造データ	PDB-5dp3: Crystal Structure of EV71 3C Proteinase in complex with compound 2 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-5dp4: Crystal Structure of EV71 3C Proteinase in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-5dp5: Crystal Structure of EV71 3C Proteinase in complex with compound 4 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5dp6: Crystal Structure of EV71 3C Proteinase in complex with compound 7 手法: X-RAY DIFFRACTION / 解像度: 3.01 Å PDB-5dp7: Crystal Structure of EV71 3C Proteinase in complex with compound 5 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-5dp8: Crystal Structure of EV71 3C Proteinase in complex with compound 8 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5dp9: Crystal Structure of EV71 3C Proteinase in complex with compound 9 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5dpa: Crystal Structure of EV71 3C Proteinase in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å
化合物	ChemComp-5GH: ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate ChemComp-HOH: WATER ChemComp-5E8: ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate ChemComp-5E9: ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate ChemComp-5EB: ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate ChemComp-5EC: ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate ChemComp-5ED: ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate ChemComp-5EX: ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate ChemComp-5F2: ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
由来	enterovirus a71 (エンテロウイルス)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / Hand / foot and mouth disease / 3C proteinase / peptidomimetics / drug design / rupintrivir / HYDROLASE-HYDROLASE INHIBITOR complex