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	Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
ジャーナル・号・ページ	J. Biol. Chem., Vol. 298, Page 102375-102375, Year 2022
掲載日	2021年7月6日 (構造データの登録日)
著者	Saccoccia, F. / Pozzetti, L. / Gimmelli, R. / Butini, S. / Guidi, A. / Papoff, G. / Giannaccari, M. / Brogi, S. / Scognamiglio, V. / Gemma, S. ...Saccoccia, F. / Pozzetti, L. / Gimmelli, R. / Butini, S. / Guidi, A. / Papoff, G. / Giannaccari, M. / Brogi, S. / Scognamiglio, V. / Gemma, S. / Ruberti, G. / Campiani, G.
リンク	J. Biol. Chem. / PubMed:35970392
手法	X線回折
解像度	1.8 - 2.3 Å
構造データ	PDB-7p2s: Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7p2t: Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7p2u: Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7p2v: Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-7poz: Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-K: Unknown entry / カリウムカチオン ChemComp-4UI: 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide ChemComp-HOH: WATER ChemComp-4VX: 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide ChemComp-144: TRIS-HYDROXYMETHYL-METHYL-AMMONIUM / メチルトリス(ヒドロキシメチル)アミニウム ChemComp-CL: Unknown entry / クロリド ChemComp-TLA: L(+)-TARTARIC ACID / L-酒石酸 ChemComp-4WB: 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide ChemComp-4XI: 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤*YM
由来	schistosoma mansoni (マンソン住血吸虫)
キーワード	HYDROLASE / Inhibitor HISTONE DEACETYLASE (HDACi) / Complex Schistosoma mansoni HDAC8 + inhibitor / Active-site. / SmHDAC8 / active-site / HDACi / histone-deacetilase inhibitor complex / tetartohedral / twinning / novel binding-site / histone-deacetilase / double-conformation