タイトル | Structural characterization of nonactive site, TrkA-selective kinase inhibitors. |
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ジャーナル・号・ページ | Proc. Natl. Acad. Sci. U.S.A., Vol. 114, Page E297-E306, Year 2017 |
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掲載日 | 2016年6月27日 (構造データの登録日) |
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著者 | Su, H.P. / Rickert, K. / Burlein, C. / Narayan, K. / Bukhtiyarova, M. / Hurzy, D.M. / Stump, C.A. / Zhang, X. / Reid, J. / Krasowska-Zoladek, A. ...Su, H.P. / Rickert, K. / Burlein, C. / Narayan, K. / Bukhtiyarova, M. / Hurzy, D.M. / Stump, C.A. / Zhang, X. / Reid, J. / Krasowska-Zoladek, A. / Tummala, S. / Shipman, J.M. / Kornienko, M. / Lemaire, P.A. / Krosky, D. / Heller, A. / Achab, A. / Chamberlin, C. / Saradjian, P. / Sauvagnat, B. / Yang, X. / Ziebell, M.R. / Nickbarg, E. / Sanders, J.M. / Bilodeau, M.T. / Carroll, S.S. / Lumb, K.J. / Soisson, S.M. / Henze, D.A. / Cooke, A.J. |
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リンク | Proc. Natl. Acad. Sci. U.S.A. / PubMed:28039433 |
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手法 | X線回折 |
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解像度 | 1.87 - 2.67 Å |
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構造データ | PDB-5kmi: TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-5kmj: TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-5kmk: TrkA JM-kinase with 2-fluoro-{N}-[2-(4-fluorophenyl)-6-methyl-3-pyridyl]-4-(trifluoromethyl)benzamide 手法: X-RAY DIFFRACTION / 解像度: 2.24 Å PDB-5kml: TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-5kmm: TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea 手法: X-RAY DIFFRACTION / 解像度: 2.12 Å PDB-5kmn: TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-5kmo: TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea 手法: X-RAY DIFFRACTION / 解像度: 2.67 Å |
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化合物 | ChemComp-6UE: 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
ChemComp-6UF: ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
ChemComp-6UG: 2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
ChemComp-6UH: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
ChemComp-6UJ: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea
ChemComp-6UK: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
ChemComp-6UM: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / kinase / juxtamembrane / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex |
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