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	Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 54, Page 1871-1895, Year 2011
掲載日	2011年1月17日 (構造データの登録日)
著者	Medina, J.R. / Becker, C.J. / Blackledge, C.W. / Duquenne, C. / Feng, Y. / Grant, S.W. / Heerding, D. / Li, W.H. / Miller, W.H. / Romeril, S.P. ...Medina, J.R. / Becker, C.J. / Blackledge, C.W. / Duquenne, C. / Feng, Y. / Grant, S.W. / Heerding, D. / Li, W.H. / Miller, W.H. / Romeril, S.P. / Scherzer, D. / Shu, A. / Bobko, M.A. / Chadderton, A.R. / Dumble, M. / Gardiner, C.M. / Gilbert, S. / Liu, Q. / Rabindran, S.K. / Sudakin, V. / Xiang, H. / Brady, P.G. / Campobasso, N. / Ward, P. / Axten, J.M.
リンク	J. Med. Chem. / PubMed:21341675
手法	X線回折
解像度	1.99 - 2.501 Å
構造データ	PDB-3qcq: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine 手法: X-RAY DIFFRACTION / 解像度: 2.501 Å PDB-3qcs: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine 手法: X-RAY DIFFRACTION / 解像度: 2.487 Å PDB-3qcx: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-3qcy: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3qd0: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-3qd3: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-3qd4: Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-3Q0: 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine ChemComp-HOH: WATER ChemComp-3Q1: 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine ChemComp-3Q2: 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine ChemComp-3Q3: (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide ChemComp-3Q4: (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide ChemComp-3Q5: tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate ChemComp-3Q6: tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE/TRANSFERASE INHIBITOR / protein-ligand complex / Kinase / Signal transduction / ATP binding Phosphoinositide binding for full length / Phoshorylation on S241 / celluar and membrane associated / TRANSFERASE-TRANSFERASE INHIBITOR complex / AGC kinase / ATP & Phosphoinositide / Phosphorylation on S241 / kinase domain / Phosphoinositide / signal tranduction