3DYG
 
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | | 著者 | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | 登録日 | 2008-07-27 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3DYF
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | | 著者 | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | 登録日 | 2008-07-27 | | 公開日 | 2009-05-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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2OGD
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | 著者 | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | 登録日 | 2007-01-05 | | 公開日 | 2007-10-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
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2OPM
 | | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | | 分子名称: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, ... | | 著者 | Cao, R, Gao, Y.G, Robinson, H, Goddard, A. | | 登録日 | 2007-01-29 | | 公開日 | 2007-12-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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2OPN
 | | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | | 分子名称: | Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Cao, R, Gao, Y.G, Robinson, H, Goddard, A, Oldfield, E. | | 登録日 | 2007-01-29 | | 公開日 | 2007-10-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Bisphosphonates: Teaching Old Drugs with New Tricks
To be Published
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3QAS
 | | Structure of Undecaprenyl Diphosphate synthase | | 分子名称: | Undecaprenyl pyrophosphate synthase | | 著者 | Cao, R, Oldfield, E. | | 登録日 | 2011-01-11 | | 公開日 | 2011-03-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target.
Chem.Biol.Drug Des., 77, 2011
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3SGT
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3SGV
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3SH0
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3SGX
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6L15
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6L12
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6L16
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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2Z4X
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) | | 分子名称: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z7I
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742 | | 分子名称: | (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-08-23 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z4W
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749 | | 分子名称: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) | | 著者 | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2ZEV
 | | S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715 | | 分子名称: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ... | | 著者 | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-12-17 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
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2Z4Y
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 | | 分子名称: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z4V
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GGPP (inhibitory site) | | 分子名称: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z78
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806 | | 分子名称: | 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium, Geranylgeranyl pyrophosphate synthetase | | 著者 | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-08-16 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z52
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-23 | | 分子名称: | (1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z50
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-28 | | 分子名称: | (1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase | | 著者 | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2ZEU
 | | S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715 | | 分子名称: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase | | 著者 | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-12-17 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
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2Z4Z
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-sc01 | | 分子名称: | (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-06-26 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2E9A
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628 | | 分子名称: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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