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	Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.
ジャーナル・号・ページ	Structure, Vol. 29, Page 823-, Year 2021
掲載日	2021年3月30日 (構造データの登録日)
著者	Deshmukh, M.G. / Ippolito, J.A. / Zhang, C.H. / Stone, E.A. / Reilly, R.A. / Miller, S.J. / Jorgensen, W.L. / Anderson, K.S.
リンク	Structure / PubMed:34161756
手法	X線回折
解像度	1.74 - 2.44 Å
構造データ	PDB-7m8m: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 11 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-7m8n: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 16 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-7m8o: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 19 手法: X-RAY DIFFRACTION / 解像度: 2.44 Å PDB-7m8p: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23 手法: X-RAY DIFFRACTION / 解像度: 2.23 Å PDB-7m8x: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 6 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-7m8y: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 15 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-7m8z: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 29 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7m90: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 50 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-7m91: CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 25 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å
化合物	ChemComp-YSG: 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione ChemComp-HOH: WATER ChemComp-YSP: 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione ChemComp-YSM: 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione ChemComp-YSJ: 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione ChemComp-YTJ: 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile ChemComp-YTM: 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione ChemComp-YTV: 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione ChemComp-YTS: 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione ChemComp-YU4: 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / Hydrolase / NOVEL CORONAVIRUS / ANTIVIRAL / DRUG DESIGN