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	Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
ジャーナル・号・ページ	J. Med. Chem., Vol. 57, Page 3382-3400, Year 2014
掲載日	2013年12月13日 (構造データの登録日)
著者	Ernst, J.T. / Neubert, T. / Liu, M. / Sperry, S. / Zuccola, H. / Turnbull, A. / Fleck, B. / Kargo, W. / Woody, L. / Chiang, P. ...Ernst, J.T. / Neubert, T. / Liu, M. / Sperry, S. / Zuccola, H. / Turnbull, A. / Fleck, B. / Kargo, W. / Woody, L. / Chiang, P. / Tran, D. / Chen, W. / Snyder, P. / Alcacio, T. / Nezami, A. / Reynolds, J. / Alvi, K. / Goulet, L. / Stamos, D.
リンク	J. Med. Chem. / PubMed:24673104
手法	X線回折
解像度	1.79 - 1.96 Å
構造データ	PDB-4o04: Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-4o05: Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-4o07: Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-4o09: Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-4o0b: Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å
化合物	ChemComp-2Q8: 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide ChemComp-HOH: WATER / 水 ChemComp-2Q9: 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one ChemComp-FGH: 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one ChemComp-2R6: 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one / 8-イソブチル-6-(3,6,6-トリメチル-4-オキソ-4,5,6,7-テトラヒドロ-1H-インド-ル-1-イル)-(以下略) ChemComp-2QA: 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one / 6-(3,6,6-トリメチル-4-オキソ-4,5,6,7-テトラヒドロ-1H-インド-ル-1-イル)-8-シクロペンチ(以下略)
由来	homo sapiens (ヒト)
キーワード	CHAPERONE/CHAPERONE INHIBITOR / chaperone (シャペロン) / CHAPERONE-CHAPERONE INHIBITOR complex