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-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
ジャーナル・号・ページ	Acta Crystallogr D Struct Biol, Vol. 80, Page 123-136, Year 2024
掲載日	2023年11月14日 (構造データの登録日)
著者	Huang, C.Y. / Metz, A. / Lange, R. / Artico, N. / Potot, C. / Hazemann, J. / Muller, M. / Dos Santos, M. / Chambovey, A. / Ritz, D. ...Huang, C.Y. / Metz, A. / Lange, R. / Artico, N. / Potot, C. / Hazemann, J. / Muller, M. / Dos Santos, M. / Chambovey, A. / Ritz, D. / Eris, D. / Meyer, S. / Bourquin, G. / Sharpe, M. / Mac Sweeney, A.
リンク	Acta Crystallogr D Struct Biol / PubMed:38289714
手法	X線回折
解像度	1.47 - 1.92 Å
構造データ	PDB-7gre: Crystal structure of SARS-CoV-2 main protease in complex with cpd-1 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-7grf: Crystal structure of SARS-CoV-2 main protease in complex with cpd-2 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-7grg: Crystal structure of SARS-CoV-2 main protease in complex with cpd-3 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-7grh: Crystal structure of SARS-CoV-2 main protease in complex with cpd-4 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-7gri: Crystal structure of SARS-CoV-2 main protease in complex with cpd-5 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7grj: Crystal structure of SARS-CoV-2 main protease in complex with cpd-6 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-7grk: Crystal structure of SARS-CoV-2 main protease in complex with cpd-7 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7grl: Crystal structure of SARS-CoV-2 main protease in complex with cpd-8 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-7grm: Crystal structure of SARS-CoV-2 main protease in complex with cpd-9 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7grn: Crystal structure of SARS-CoV-2 main protease in complex with cpd-10 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-7gro: Crystal structure of SARS-CoV-2 main protease in complex with cpd-11 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-7grp: Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-7grq: Crystal structure of SARS-CoV-2 main protease in complex with cpd-13 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-7grr: Crystal structure of SARS-CoV-2 main protease in complex with cpd-14 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-7grs: Crystal structure of SARS-CoV-2 main protease in complex with cpd-15 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-7grt: Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-7gru: Crystal structure of SARS-CoV-2 main protease in complex with cpd-17 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-7grv: Crystal structure of SARS-CoV-2 main protease in complex with cpd-18 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-7grw: Crystal structure of SARS-CoV-2 main protease in complex with cpd-19 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-7grx: Crystal structure of SARS-CoV-2 main protease in complex with cpd-20 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-7gry: Crystal structure of SARS-CoV-2 main protease in complex with cpd-21 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-7grz: Crystal structure of SARS-CoV-2 main protease in complex with cpd-22 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-7gs0: Crystal structure of SARS-CoV-2 main protease in complex with cpd-23 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-7gs1: Crystal structure of SARS-CoV-2 main protease in complex with cpd-24 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-7gs2: Crystal structure of SARS-CoV-2 main protease in complex with cpd-25 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-7gs3: Crystal structure of SARS-CoV-2 main protease in complex with cpd-26 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-7gs4: Crystal structure of SARS-CoV-2 main protease in complex with cpd-27 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-7gs5: Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-7gs6: Crystal structure of SARS-CoV-2 main protease in complex with cpd-29 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å
化合物	化合物画像なし ChemComp-XWH: Unknown entry ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-CL: Unknown entry / クロリド ChemComp-HOH: WATER 化合物画像なし ChemComp-XWZ: Unknown entry 化合物画像なし ChemComp-Y2C: Unknown entry 化合物画像なし ChemComp-Y25: Unknown entry 化合物画像なし ChemComp-Y1R: Unknown entry 化合物画像なし ChemComp-Y1L: Unknown entry 化合物画像なし ChemComp-Y1H: Unknown entry 化合物画像なし ChemComp-Y1C: Unknown entry ChemComp-ZHA: ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide / 6-(アセチルアミノ)テトラリン-1-オン化合物画像なし ChemComp-Y0W: Unknown entry 化合物画像なし ChemComp-Y3N: Unknown entry ChemComp-VXQ: 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine 化合物画像なし ChemComp-Y0S: Unknown entry 化合物画像なし ChemComp-Y0O: Unknown entry ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-NT9: ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine 化合物画像なし ChemComp-Y0L: Unknown entry 化合物画像なし ChemComp-Y0H: Unknown entry 化合物画像なし ChemComp-Y0C: Unknown entry 化合物画像なし ChemComp-XZX: Unknown entry 化合物画像なし ChemComp-XZT: Unknown entry 化合物画像なし ChemComp-XZO: Unknown entry 化合物画像なし ChemComp-XZI: Unknown entry ChemComp-PO4: PHOSPHATE ION / ホスファ-ト化合物画像なし ChemComp-XZE: Unknown entry ChemComp-GT7: 2-cyano-~{N}-cyclohexyl-ethanamide / N-シクロヘキシル-2-シアノアセトアミド ChemComp-5F8: 3-(pyridin-3-yl)benzoic acid / 3-(3-ピリジル)安息香酸 ChemComp-JAH: (6-phenylpyridin-3-yl)methanamine 化合物画像なし ChemComp-XZ6: Unknown entry ChemComp-0TI: (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one 化合物画像なし ChemComp-XXN*: Unknown entry
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / Protease / SARS-CoV-2