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 ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 12286-12303, Year 2021
掲載日	2021年3月2日 (構造データの登録日)
著者	Heightman, T.D. / Berdini, V. / Bevan, L. / Buck, I.M. / Carr, M.G. / Courtin, A. / Coyle, J.E. / Day, J.E.H. / East, C. / Fazal, L. ...Heightman, T.D. / Berdini, V. / Bevan, L. / Buck, I.M. / Carr, M.G. / Courtin, A. / Coyle, J.E. / Day, J.E.H. / East, C. / Fazal, L. / Griffiths-Jones, C.M. / Howard, S. / Kucia-Tran, J. / Martins, V. / Muench, S. / Munck, J.M. / Norton, D. / O'Reilly, M. / Palmer, N. / Pathuri, P. / Peakman, T.M. / Reader, M. / Rees, D.C. / Rich, S.J. / Shah, A. / Wallis, N.G. / Walton, H. / Wilsher, N.E. / Woolford, A.J. / Cooke, M. / Cousin, D. / Onions, S. / Shannon, J. / Watts, J. / Murray, C.W.
リンク	J. Med. Chem. / PubMed:34387469
手法	X線回折
解像度	1.627 - 1.943 Å
構造データ	PDB-7nqq: Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 手法: X-RAY DIFFRACTION / 解像度: 1.943 Å PDB-7nqw: Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 手法: X-RAY DIFFRACTION / 解像度: 1.775 Å PDB-7nr3: Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 手法: X-RAY DIFFRACTION / 解像度: 1.897 Å PDB-7nr5: Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 手法: X-RAY DIFFRACTION / 解像度: 1.766 Å PDB-7nr8: Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 手法: X-RAY DIFFRACTION / 解像度: 1.627 Å PDB-7nr9: Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 手法: X-RAY DIFFRACTION / 解像度: 1.906 Å
化合物	ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-UMN: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide ChemComp-HOH: WATER ChemComp-UNW: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one ChemComp-UO5: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one ChemComp-UOH: (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-UOE: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide ChemComp-UOW*: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide
由来	homo sapiens (ヒト)
キーワード	SIGNALING PROTEIN / Serine-threonine kinase / protein kinase / signal transduction / MAP kinase / Serine/threonine kinase / ATP-binding protein