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	Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
ジャーナル・号・ページ	J. Med. Chem., Vol. 60, Page 4611-4625, Year 2017
掲載日	2016年10月25日 (構造データの登録日)
著者	Tamanini, E. / Buck, I.M. / Chessari, G. / Chiarparin, E. / Day, J.E.H. / Frederickson, M. / Griffiths-Jones, C.M. / Hearn, K. / Heightman, T.D. / Iqbal, A. ...Tamanini, E. / Buck, I.M. / Chessari, G. / Chiarparin, E. / Day, J.E.H. / Frederickson, M. / Griffiths-Jones, C.M. / Hearn, K. / Heightman, T.D. / Iqbal, A. / Johnson, C.N. / Lewis, E.J. / Martins, V. / Peakman, T. / Reader, M. / Rich, S.J. / Ward, G.A. / Williams, P.A. / Wilsher, N.E.
リンク	J. Med. Chem. / PubMed:28492317
手法	X線回折
解像度	1.8 - 2.61 Å
構造データ	PDB-5m6e: Small Molecule inhibitors of IAP 手法: X-RAY DIFFRACTION / 解像度: 2.32 Å PDB-5m6f: Small Molecule inhibitors of IAP 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å PDB-5m6h: Small Molecule inhibitors of IAP 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-5m6l: Small Molecule inhibitors of IAP 手法: X-RAY DIFFRACTION / 解像度: 2.61 Å PDB-5m6m: Small Molecule inhibitors of IAP 手法: X-RAY DIFFRACTION / 解像度: 2.37 Å PDB-5m6n: Small Molecule inhibitors of IAP 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-7HT: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone ChemComp-HOH: WATER ChemComp-7HU: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone ChemComp-7J6: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone ChemComp-7H9: 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone ChemComp-7H8: 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one ChemComp-SO4*: SULFATE ION / 硫酸ジアニオン
由来	homo sapiens (ヒト)
キーワード	APOPTOSIS / XIAP / metal-binding / inhibitor / Xiap#1 / LIGASE