4N9U
 
 | | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E. | | Deposit date: | 2013-10-21 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
TO BE PUBLISHED
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2Z7H
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-210 | | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID) | | Authors: | Cao, R, Chen, C.K.-M, Guo, R.-T, Hudock, M, Wang, A.H.-J, Oldfield, E. | | Deposit date: | 2007-08-23 | | Release date: | 2008-05-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Proteins, 73, 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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4OGU
 | | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | | Deposit date: | 2014-01-16 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
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4P0W
 | | Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | | Descriptor: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PVX
 | | Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rodionov, D, Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-03-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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3B7L
 | | Human farnesyl diphosphate synthase complexed with MG and minodronate | | Descriptor: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Farnesyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, Kavanagh, K.L, von Delft, F, Ebetino, F.H, Arrowsmith, C.H, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-10-31 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human farnesyl diphosphate synthase complexed with MG and minodronate.
TO BE PUBLISHED
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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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4PVY
 | | Crystal structure of human FPPS in complex with [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rodionov, D, Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-03-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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4N1Z
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. | | Deposit date: | 2013-10-04 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
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4Q23
 | | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | | Deposit date: | 2014-04-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
To be Published
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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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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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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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4QPF
 | | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | | Authors: | Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G. | | Deposit date: | 2014-06-23 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
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4KPJ
 | | Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate | | Descriptor: | 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-05-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
To be Published
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4JZX
 | | Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ... | | Authors: | Aripirala, S, Gabelli, S, Amzel, L.M. | | Deposit date: | 2013-04-03 | | Release date: | 2014-03-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
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4JVJ
 | | Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-03-25 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
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4KPD
 | | Crystal Structure of Human Farnesyl Pyrophosphate Synthase (Y204F) Mutant Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-05-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure of Human Farnesyl Pyrophosphate Synthase (Y204F) Mutant Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
To be Published
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4KKM
 | | Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-05-06 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure
To be Published
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4KQS
 | | Crystal Structure of Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C. | | Deposit date: | 2013-05-15 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal Structure of Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
To be Published
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4KFA
 | | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate | | Descriptor: | 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-04-26 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
To be Published
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4KK2
 | | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure | | Descriptor: | Monoterpene synthase FDS-5, chloroplastic - Farnesyl diphosphate synthase 1 chimera | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-05-05 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformis (1-72:GI751454468,73-346:GI75233326), apo structure
To be Published
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4KQU
 | | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-05-15 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
To be Published
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