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	Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
ジャーナル・号・ページ	Acs Bio Med Chem Au, Vol. 5, Page 215-226, Year 2025
掲載日	2024年5月3日 (構造データの登録日)
著者	Kenneson, J.R. / Papini, C. / Tang, S. / Huynh, K. / Zhang, C.H. / Jorgensen, W.L. / Anderson, K.S.
リンク	Acs Bio Med Chem Au / PubMed:39990941
手法	X線回折
解像度	1.3 - 2.78 Å
構造データ	PDB-9bnt: Crystal Structure of T21I SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-9bnu: Crystal Structure of T190I SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-9bnv: Crystal Structure of A173V SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-9bnw: Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-9bnx: Crystal Structure of L50F SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-9bny: Crystal Structure of E166V/L50F SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-9bnz: Crystal Structure of E166V SARS-CoV-2 Main Protease 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-9bo0: Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Compound Mpro61 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-9bo1: Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with Compound Mpro61 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-9bo2: Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with Compound Mpro61 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-9bo3: Crystal Structure of E166V SARS-CoV-2 Main Protease in Complex with Compound Mpro61 手法: X-RAY DIFFRACTION / 解像度: 2.78 Å PDB-9bo4: Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.28 Å PDB-9bo5: Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-9bo6: Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-9bo7: Crystal Structure of L50F SARS-CoV-2 Main Protease in Complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-9bo8: Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-9bo9: Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-9boa: Crystal Structure of A173V SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-9bob: Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-9boc: Crystal Structure of L50F SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-9bod: Crystal Structure of E166V/L50F SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-9boe: Crystal Structure of E166V SARS-CoV-2 Main Protease in Complex with GC376 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-9cdk: SARS-CoV-2 Mpro A173V mutant in complex with small molecule inhibitor Mpro61 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-9cdl: SARS-CoV-2 Mpro E166V/L50F double mutant in complex with small molecule inhibitor Mpro61 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-9cdm: SARS-CoV-2 Mpro L50F mutant in complex with small molecule inhibitor Mpro61 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å
化合物	ChemComp-HOH: WATER 化合物画像なし ChemComp-XEK: Unknown entry ChemComp-4WI: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide / 薬剤, 抗ウイルス剤, プロテアーゼ阻害剤YM ChemComp-UED: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-CL: Unknown entry / クロリド
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / Hydrolase / SARS-CoV-2 / Mpro / 3CL / main protease / inhibitor / small molecule / Mpro61 / drug resistant mutant / E166V / L50F / antiviral / mutant / small molecule inhibitor