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	Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
ジャーナル・号・ページ	Prog. Biophys. Mol. Biol., Vol. 163, Page 171-186, Year 2021
掲載日	2020年10月14日 (構造データの登録日)
著者	Brosey, C.A. / Houl, J.H. / Katsonis, P. / Balapiti-Modarage, L.P.F. / Bommagani, S. / Arvai, A. / Moiani, D. / Bacolla, A. / Link, T. / Warden, L.S. ...Brosey, C.A. / Houl, J.H. / Katsonis, P. / Balapiti-Modarage, L.P.F. / Bommagani, S. / Arvai, A. / Moiani, D. / Bacolla, A. / Link, T. / Warden, L.S. / Lichtarge, O. / Jones, D.E. / Ahmed, Z. / Tainer, J.A.
リンク	Prog. Biophys. Mol. Biol. / PubMed:33636189
手法	X線回折
解像度	1.43 - 2.3 Å
構造データ	PDB-7kfp: Structure of human PARG complexed with PARG-119 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7kg0: Structure of human PARG complexed with PARG-131 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-7kg1: Structure of human PARG complexed with PARG-002 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7kg3: Crystal structure of CoV-2 Nsp3 Macrodomain 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7kg6: Structure of human PARG complexed with PARG-322 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-7kg7: Structure of human PARG complexed with PARG-292 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7kg8: Structure of human PARG complexed with PARG-061 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-7kxb: Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-7lg7: Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-WD7: N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-WDA: 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-WDD: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione ChemComp-CAC: CACODYLATE ION / ジメチルアルシン酸アニオン ChemComp-MLI: MALONATE ION / マロナ-ト ChemComp-MES: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / 2-モルホリノエタンスルホン酸 / pH緩衝剤YM ChemComp-WDG: 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid ChemComp-WDJ: 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione ChemComp-WDM: 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one ChemComp-XB1: N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea ChemComp-BME: BETA-MERCAPTOETHANOL / 2-メルカプトエタノ-ル ChemComp-XYJ: 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
由来	homo sapiens (ヒト) severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	HYDROLASE/HYDROLASE inhibitor / HYDROLASE / hydrolase inhibitor complex / methyl xanthine / HYDROLASE-HYDROLASE inhibitor complex / SARS-CoV-2 / macrodomain