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4N9U
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The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
著者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.
登録日2013-10-21
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
2Z7H
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S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-210
分子名称: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID)
著者Cao, R, Chen, C.K.-M, Guo, R.-T, Hudock, M, Wang, A.H.-J, Oldfield, E.
登録日2007-08-23
公開日2008-05-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Proteins, 73, 2008
2Z4Z
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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
4OGU
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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
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者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.
登録日2014-01-16
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
4P0W
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Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate
分子名称: 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, ...
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PVX
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Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ...
著者Rodionov, D, Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
登録日2014-03-18
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
3B7L
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Human farnesyl diphosphate synthase complexed with MG and minodronate
分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Farnesyl pyrophosphate synthetase, MAGNESIUM ION
著者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)
登録日2007-10-31
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human farnesyl diphosphate synthase complexed with MG and minodronate.
TO BE PUBLISHED
2ZEV
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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
4PVY
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Crystal structure of human FPPS in complex with [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ...
著者Rodionov, D, Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M.
登録日2014-03-18
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
4N1Z
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Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E.
登録日2013-10-04
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
4Q23
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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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者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.
登録日2014-04-05
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
2Z4V
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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
2Z78
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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
2Z52
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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
2Z4X
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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
4QPF
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New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
著者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.
登録日2014-06-23
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
4KPJ
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Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
分子名称: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-05-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
To be Published
4JZX
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Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
著者Aripirala, S, Gabelli, S, Amzel, L.M.
登録日2013-04-03
公開日2014-03-05
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4JVJ
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Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-03-25
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
4KPD
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Crystal Structure of Human Farnesyl Pyrophosphate Synthase (Y204F) Mutant Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-05-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of Human Farnesyl Pyrophosphate Synthase (Y204F) Mutant Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
To be Published
4KKM
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Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者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)
登録日2013-05-06
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure
To be Published
4KQS
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Crystal Structure of Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C.
登録日2013-05-15
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
To be Published
4KFA
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Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
分子名称: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-04-26
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
To be Published
4KK2
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Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure
分子名称: Monoterpene synthase FDS-5, chloroplastic - Farnesyl diphosphate synthase 1 chimera
著者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)
登録日2013-05-05
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
4KQU
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Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl pyrophosphate synthase, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-05-15
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
To be Published

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