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	Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
ジャーナル・号・ページ	To be published
掲載日	2025年1月7日 (構造データの登録日)
著者	Barthel, T. / Wollenhaupt, J. / Benz, L.S. / Reincke, P. / Zhang, L. / Lennartz, F. / Tabermann, H. / Mueller, U. / Meente, A. / Hilgenfeld, R. / Weiss, M.S.
リンク	PubMedで検索
手法	X線回折
解像度	1.52 - 2.13 Å
構造データ	PDB-7huc: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B07 from the F2X-Entry Screen in monoclinic space group 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-7hud: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in monoclinic space group 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-7hue: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in monoclinic space group 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7i13: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B05 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7i14: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-7i15: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C02 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7i16: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C07 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-7i17: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C10 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-7i18: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D04 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7i19: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-7i1a: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D11 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-7i1c: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment E11 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-7i1d: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment F04 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7i1e: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G03 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-7i1f: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G04 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-7i1g: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G09 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-7i1h: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G10 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-7i1i: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H03 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-7i1j: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H11 from the F2X-Entry Screen in orthorhombic space group 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å
化合物	化合物画像なし ChemComp-UIS: Unknown entry ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-HOH: WATER ChemComp-T9S: ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate PDB-1bnp: NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, 55 STRUCTURES ChemComp-CL: Unknown entry / クロリド PDB-1bvz: ALPHA-AMYLASE II (TVAII) FROM THERMOACTINOMYCES VULGARIS R-47 ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-SYA: 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid / 2,4,5-トリフルオロ-3-メトキシ安息香酸化合物画像なし ChemComp-VN9: Unknown entry ChemComp-TJV: 1,3-benzodioxole-5-carbothioamide 化合物画像なし ChemComp-R9D: Unknown entry PDB-1bvw: CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS ChemComp-R9M: 3-(1,3-thiazol-2-yl)propanoic acid ChemComp-RA7: [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol ChemComp-RB7: N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine ChemComp-RD4: 3-ethoxybenzene-1-carboximidamide ChemComp-T9V: N-(4-methoxyphenyl)acetamide / N-(4-メトキシフェニル)アセトアミド ChemComp-RDM: (2R)-2-(acetylamino)-4-phenylbutanoic acid / (R)-4-フェニル-2-(アセチルアミノ)酪酸 PDB-1bvy: COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) ChemComp-RDY: N-[(benzyloxy)carbonyl]-N-methyl-L-alanine / N-(ベンジルオキシカルボニル)-N-メチル-L-アラニン ChemComp-TBJ*: N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / SARS-CoV-2 / fragment screen / main protease