タイトル | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 6, Page 25-, Year 2015 |
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掲載日 | 2014年5月12日 (構造データの登録日) |
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著者 | Johnson, C.N. / Berdini, V. / Beke, L. / Bonnet, P. / Brehmer, D. / Coyle, J.E. / Day, P.J. / Frederickson, M. / Freyne, E.J.E. / Gilissen, R.A.H.J. ...Johnson, C.N. / Berdini, V. / Beke, L. / Bonnet, P. / Brehmer, D. / Coyle, J.E. / Day, P.J. / Frederickson, M. / Freyne, E.J.E. / Gilissen, R.A.H.J. / Hamlett, C.C.F. / Howard, S. / Meerpoel, L. / Mcmenamin, R. / Patel, S. / Rees, D.C. / Sharff, A. / Sommen, F. / Wu, T. / Linders, J.T.M. |
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リンク | Acs Med. Chem. Lett. / PubMed:25589925 |
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手法 | X線回折 |
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解像度 | 1.92 - 3 Å |
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構造データ | PDB-4d2p: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-4d2t: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-4d2v: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-4d2w: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-4ump: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-4umq: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-4umr: Structure of MELK in complex with inhibitors 手法: X-RAY DIFFRACTION / 解像度: 3.0 Å |
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化合物 | ChemComp-6Z7: 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium
ChemComp-3I7: 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium
ChemComp-45R: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium
ChemComp-NF5: 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
ChemComp-B5S: 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium
ChemComp-QBB: 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / FRAGMENT STERBASED DRUG DESIGN / KINASE / FRAGMENT BASED DRUG DESIGN |
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