タイトル | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors |
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ジャーナル・号・ページ | Acta Crystallogr. ,Sect. D, Vol. 67, Page 156-, Year 2011 |
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掲載日 | 2010年7月1日 (構造データの登録日) |
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著者 | Schulz, M.N. / Fanghanel, J. / Schafer, M. / Badock, V. / Briem, H. / Boemer, U. / Nguyen, D. / Husemann, M. / Hillig, R.C. |
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リンク | Acta Crystallogr. ,Sect. D / PubMed:21358046 |
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手法 | X線回折 |
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解像度 | 2.13 - 3.1 Å |
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構造データ | PDB-2xix: Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-2xiy: Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2xiz: Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-2xj0: Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å PDB-2xj1: Protein kinase Pim-1 in complex with small molecule inibitor 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-2xj2: Protein kinase Pim-1 in complex with small molecule inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-XJ0: (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID
ChemComp-XJ1: (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID
ChemComp-985: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / ATP-BINDING / PHOSPHORYLATION / PROTEIN KINASE FOLD |
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