タイトル | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 57, Page 6197-6209, Year 2014 |
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掲載日 | 2014年6月13日 (構造データの登録日) |
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著者 | De Bruin, G. / Huber, E.M. / Xin, B.T. / Van Rooden, E.J. / Al-Ayed, K. / Kim, K.B. / Kisselev, A.F. / Driessen, C. / Van der Stelt, M. / Van der Marel, G.A. ...De Bruin, G. / Huber, E.M. / Xin, B.T. / Van Rooden, E.J. / Al-Ayed, K. / Kim, K.B. / Kisselev, A.F. / Driessen, C. / Van der Stelt, M. / Van der Marel, G.A. / Groll, M. / Overkleeft, H.S. |
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リンク | J. Med. Chem. / PubMed:25006746 |
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手法 | X線回折 |
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解像度 | 2.4 - 2.9 Å |
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構造データ | PDB-4qlq: yCP in complex with tripeptidic epoxyketone inhibitor 8 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-4qls: yCP in complex with tripeptidic epoxyketone inhibitor 11 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-4qlt: yCP in complex with tripeptidic epoxyketone inhibitor 2 (PR924) 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-4qlu: yCP in complex with tripeptidic epoxyketone inhibitor 9 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-4qlv: yCP in complex with tripeptidic epoxyketone inhibitor 17 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å |
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化合物 | ChemComp-38N: N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide
ChemComp-37Y: N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide
ChemComp-39V: N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide
ChemComp-38X: N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide
ChemComp-39Q: N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide
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由来 | - saccharomyces cerevisiae (パン酵母)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / Proteasome / Epoxyketone / Immunoproteasome Inhibitor / Binding Analysis / HYDROLASE-HYDROLASE INHIBITOR complex |
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