タイトル | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. |
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ジャーナル・号・ページ | Chemistry, Vol. 25, Page 6831-6839, Year 2019 |
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掲載日 | 2019年3月22日 (構造データの登録日) |
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著者 | Zhang, R. / McIntyre, P.J. / Collins, P.M. / Foley, D.J. / Arter, C. / von Delft, F. / Bayliss, R. / Warriner, S. / Nelson, A. |
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リンク | Chemistry / PubMed:31026091 |
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手法 | X線回折 |
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解像度 | 1.937 - 2.209 Å |
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構造データ | PDB-6r49: Aurora-A in complex with shape-diverse fragment 39 手法: X-RAY DIFFRACTION / 解像度: 2.209 Å PDB-6r4a: Aurora-A in complex with shape-diverse fragment 55 手法: X-RAY DIFFRACTION / 解像度: 1.937 Å PDB-6r4b: Aurora-A in complex with shape-diverse fragment 56 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-6r4c: Aurora-A in complex with shape-diverse fragment 57 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-6r4d: Aurora-A in complex with shape-diverse fragment 58 手法: X-RAY DIFFRACTION / 解像度: 2.009 Å |
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化合物 | ChemComp-JSB: (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
ChemComp-JRT: 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
ChemComp-JSN: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide
ChemComp-JRQ: ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate
ChemComp-JRW: (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / Ser/Thr kinase Allosteric site / Ser/Thr protein kinase Allosteric site |
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