3EGT
| T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | Deposit date: | 2008-09-11 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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3EFQ
| T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714 | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | Deposit date: | 2008-09-09 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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3QAS
| Structure of Undecaprenyl Diphosphate synthase | Descriptor: | Undecaprenyl pyrophosphate synthase | Authors: | Cao, R, Oldfield, E. | Deposit date: | 2011-01-11 | Release date: | 2011-03-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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3SGX
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3SH0
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2OGD
| T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2007-01-05 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks TO BE PUBLISHED
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2OPM
| Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | Descriptor: | 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, ... | Authors: | Cao, R, Gao, Y.G, Robinson, H, Goddard, A. | Deposit date: | 2007-01-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Cao, R, Gao, Y.G, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2007-01-29 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks To be Published
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2Z78
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806 | Descriptor: | 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium, Geranylgeranyl pyrophosphate synthetase | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-08-16 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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) | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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 | Descriptor: | (1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z4X
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) | Descriptor: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 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 | Descriptor: | (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-08-23 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z4Z
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-sc01 | Descriptor: | (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 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 | Descriptor: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase | Authors: | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-12-17 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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2Z50
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-28 | Descriptor: | (1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z4Y
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 | Descriptor: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ... | Authors: | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-12-17 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | 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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4RXA
| Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358 | Descriptor: | Farnesyl pyrophosphate synthase, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide, PHOSPHATE ION | Authors: | Liu, Y.-L, Cao, R, Wang, Y, Oldfield, E. | Deposit date: | 2014-12-09 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries. ACS Med Chem Lett, 6, 2015
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2E99
| E. coli undecaprenyl pyrophosphate synthase in complex with BPH-608 | Descriptor: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E93
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-629 | Descriptor: | Geranylgeranyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | Authors: | Guo, R.T, Cao, R, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E9A
| E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628 | Descriptor: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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