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	[1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
ジャーナル・号・ページ	J. Med. Chem., Vol. 66, Page 1301-1320, Year 2023
掲載日	2022年2月7日 (構造データの登録日)
著者	Murthy, S. / Nizi, M.G. / Maksimainen, M.M. / Massari, S. / Alaviuhkola, J. / Lippok, B.E. / Vagaggini, C. / Sowa, S.T. / Galera-Prat, A. / Ashok, Y. ...Murthy, S. / Nizi, M.G. / Maksimainen, M.M. / Massari, S. / Alaviuhkola, J. / Lippok, B.E. / Vagaggini, C. / Sowa, S.T. / Galera-Prat, A. / Ashok, Y. / Venkannagari, H. / Prunskaite-Hyyrylainen, R. / Dreassi, E. / Luscher, B. / Korn, P. / Tabarrini, O. / Lehtio, L.
リンク	J. Med. Chem. / PubMed:36598465
手法	X線回折
解像度	1.5 - 2.25 Å
構造データ	PDB-7r3l: PARP14 catalytic domain in complex with OUL40 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7r3o: PARP15 catalytic domain in complex with OUL40 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7r3z: Tankyrase 2 catalytic domain in complex with OUL40 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-7r4a: PARP15 catalytic domain in complex with OUL188 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7r59: PARP2 catalytic domain in complex with OUL245 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7r5d: PARP15 catalytic domain in complex with OUL234 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-7r5x: Tankyrase 2 in complex with an inhibitor (OUL211) 手法: X-RAY DIFFRACTION / 解像度: 2.052 Å PDB-7z1v: PARP15 catalytic domain in complex with OUL208 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7z1w: PARP15 catalytic domain in complex with OUL246 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7z1y: PARP15 catalytic domain in complex with OUL245 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-7z2o: PARP15 catalytic domain in complex with OUL215 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7z2q: PARP15 catalytic domain in complex with OUL232 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7z41: PARP15 catalytic domain in complex with OUL209 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å
化合物	ChemComp-I1Q: 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-CL: Unknown entry / クロリド ChemComp-PG4: TETRAETHYLENE GLYCOL / テトラエチレングリコ-ル / 沈殿剤YM ChemComp-HOH: WATER ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-ZN: Unknown entry ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-I1B: 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-I5F: [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol ChemComp-I4X: 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-I6D: 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-IAW: 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-I9L: 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-IAJ: 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole ChemComp-IAO: 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine ChemComp-I9R: 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / Mono-ADP-transferase / Inhibitor / Complex / Human poly-ADP-ribose transferase / PARP / ADP-ribosylation / Enzyme