| タイトル | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. |
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| ジャーナル・号・ページ | J. Med. Chem., Vol. 53, Page 7682-, Year 2010 |
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| 掲載日 | 2010年7月7日 (構造データの登録日) |
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著者 | Whelligan, D.K. / Solanki, S. / Taylor, D. / Thomson, D.W. / Cheung, K.M. / Boxall, K. / Mas-Droux, C. / Barillari, C. / Burns, S. / Grummitt, C.G. ...Whelligan, D.K. / Solanki, S. / Taylor, D. / Thomson, D.W. / Cheung, K.M. / Boxall, K. / Mas-Droux, C. / Barillari, C. / Burns, S. / Grummitt, C.G. / Collins, I. / Van Montfort, R.L. / Aherne, G.W. / Bayliss, R. / Hoelder, S. |
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リンク | J. Med. Chem. / PubMed:20936789 |
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| 手法 | X線回折 |
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| 解像度 | 1.96 - 2.5 Å |
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| 構造データ | PDB-2xk3: Structure of Nek2 bound to Aminopyrazine compound 35 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2xk4: Structure of Nek2 bound to aminopyrazine compound 17 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2xk6: Structure of Nek2 bound to aminopyrazine compound 36 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2xk7: Structure of Nek2 bound to aminopyrazine compound 23 手法: X-RAY DIFFRACTION / 解像度: 1.992 Å PDB-2xk8: Structure of Nek2 bound to aminopyrazine compound 15 手法: X-RAY DIFFRACTION / 解像度: 2.001 Å PDB-2xkc: Structure of Nek2 bound to aminopyrazine compound 14 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2xkd: Structure of Nek2 bound to aminopyrazine compound 12 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-2xke: Structure of Nek2 bound to Aminipyrazine Compound 5 手法: X-RAY DIFFRACTION / 解像度: 2.203 Å PDB-2xkf: Structure of Nek2 bound to aminopyrazine compound 2 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å |
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| 化合物 | ChemComp-XK3: 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID
ChemComp-OL2: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid
ChemComp-EQH: cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid
ChemComp-30E: (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid
ChemComp-5R1: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid
ChemComp-4VQ: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid
ChemComp-T3M: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
ChemComp-WI2: 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
ChemComp-BX1: 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
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| 由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / CENTROSOME / MITOSIS |
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