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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4P0V
 | | Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | | Descriptor: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-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 (2.4 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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4P0X
 | | Human farnesyl diphosphate synthase in complex with Taxodione | | Descriptor: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase | | 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 (2.5 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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3RBM
 | | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703 | | Descriptor: | 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, No, J.H, Oldfield, E. | | Deposit date: | 2011-03-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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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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2AFX
 | | Crystal structure of human glutaminyl cyclase in complex with 1-benzylimidazole | | Descriptor: | 1-BENZYL-1H-IMIDAZOLE, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AFS
 | | Crystal structure of the genetic mutant R54W of human glutaminyl cyclase | | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AFZ
 | | Crystal structure of human glutaminyl cyclase in complex with 1-vinylimidazole | | Descriptor: | 1-VINYLIMIDAZOLE, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AFM
 | | Crystal structure of human glutaminyl cyclase at pH 6.5 | | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AFU
 | | Crystal structure of human glutaminyl cyclase in complex with glutamine t-butyl ester | | Descriptor: | Glutaminyl-peptide cyclotransferase, TERT-BUTYL D-ALPHA-GLUTAMINATE, ZINC ION | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AFO
 | | Crystal structure of human glutaminyl cyclase at pH 8.0 | | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AFW
 | | Crystal structure of human glutaminyl cyclase in complex with N-acetylhistamine | | Descriptor: | Glutaminyl-peptide cyclotransferase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, SULFATE ION, ... | | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3W02
 | | Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, SULFATE ION | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3W01
 | | Crystal structure of PcrB complexed with PEG from Staphylococcus aureus subsp. aureus Mu3 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, TRIETHYLENE GLYCOL | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3VZZ
 | | Crystal structure of PcrB complexed with FsPP from bacillus subtilis subap. subtilis str. 168 | | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3VZX
 | | Crystal structure of PcrB from bacillus subtilis subap. subtilis str. 168 | | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3VZY
 | | Crystal structure of PcrB complexed with G1P from bacillus subtilis subap. subtilis str. 168 | | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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3W00
 | | Crystal structure of PcrB complexed with G1P and FsPP from bacillus subtilis subap. subtilis str. 168 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, PHOSPHATE ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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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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4RYP
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4RXD
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4RXE
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4RXC
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) | | Authors: | Cao, R, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
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3ACW
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651 | | Descriptor: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACX
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673 | | Descriptor: | Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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