タイトル | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 51, Page 5594-5607, Year 2008 |
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掲載日 | 2007年6月26日 (構造データの登録日) |
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著者 | Chen, C.K.-M. / Hudock, M.P. / Zhang, Y. / Guo, R.-T. / Cao, R. / No, J.H. / Liang, P.-H. / Ko, T.-P. / Chang, T.-H. / Chang, S.-C. ...Chen, C.K.-M. / Hudock, M.P. / Zhang, Y. / Guo, R.-T. / Cao, R. / No, J.H. / Liang, P.-H. / Ko, T.-P. / Chang, T.-H. / Chang, S.-C. / Song, Y. / Axelson, J. / Kumar, A. / Wang, A.H.-J. / Oldfield, E. |
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リンク | J. Med. Chem. / PubMed:18800762 |
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手法 | X線回折 |
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解像度 | 1.86 - 2.45 Å |
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構造データ | PDB-2z4v: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GGPP (inhibitory site) 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-2z4w: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-2z4x: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-2z4y: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2z4z: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-sc01 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-2z50: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-28 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-2z52: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-23 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-2z78: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2z7i: S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å |
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化合物 | ChemComp-749: [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
ChemComp-SC0: (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
ChemComp-H86: 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium
ChemComp-742: (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM
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由来 | - saccharomyces cerevisiae (パン酵母)
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キーワード | TRANSFERASE / prenyltransferase / geranylgeranyl pyrophosphate / bisphosphonate / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex / Carotenoid biosynthesis / Isoprene biosynthesis / Multifunctional enzyme / Protein transport / Transport |
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