タイトル | Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. |
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ジャーナル・号・ページ | Bioorg. Med. Chem. Lett., Vol. 21, Page 7089-7093, Year 2011 |
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掲載日 | 2011年6月24日 (構造データの登録日) |
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著者 | Nankervis, J.L. / Feil, S.C. / Hancock, N.C. / Zheng, Z. / Ng, H.L. / Morton, C.J. / Holien, J.K. / Ho, P.W. / Frazzetto, M.M. / Jennings, I.G. ...Nankervis, J.L. / Feil, S.C. / Hancock, N.C. / Zheng, Z. / Ng, H.L. / Morton, C.J. / Holien, J.K. / Ho, P.W. / Frazzetto, M.M. / Jennings, I.G. / Manallack, D.T. / Martin, T.J. / Thompson, P.E. / Parker, M.W. |
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リンク | Bioorg. Med. Chem. Lett. / PubMed:22030030 |
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手法 | X線回折 |
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解像度 | 1.9 - 2.65 Å |
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構造データ | PDB-3sl3: Crystal structure of the apo form of the catalytic domain of PDE4D2 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3sl4: Crystal structure of the catalytic domain of PDE4D2 with compound 10D 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-3sl5: Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-3sl6: Crystal structure of the catalytic domain of PDE4D2 with compound 12c 手法: X-RAY DIFFRACTION / 解像度: 2.44 Å PDB-3sl8: Crystal structure of the catalytic domain of PDE4D2 with compound 10o 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å |
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化合物 | ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤*YM / HEPES
ChemComp-JN4: ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ChemComp-J25: diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
ChemComp-JN8: cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ChemComp-JN7: 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
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由来 | ![](img/tx_human.gif) homo sapiens (ヒト)
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キーワード | HYDROLASE (加水分解酵素) / catalytic mechanism (酵素反応) / cAMP hydrolysis / Hydrolase/Inhibitor / Hydrolase-Inhibitor complex / Hydrolase/Hydrolase Inhibitor / Hydrolase-Hydrolase Inhibitor complex / catalytic domain |
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