4H2M
 
 | | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | | 分子名称: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | | 著者 | Zhu, W, Oldfield, E. | | 登録日 | 2012-09-12 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5HN7
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5HNA
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5HN8
 | | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182 | | 分子名称: | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ... | | 著者 | Liu, Y.-L, Zhang, Y, Oldfield, E. | | 登録日 | 2016-01-18 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
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3W02
 | | Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3 | | 分子名称: | Heptaprenylglyceryl phosphate synthase, SULFATE ION | | 著者 | 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. | | 登録日 | 2012-10-17 | | 公開日 | 2012-12-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | 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 | | 分子名称: | Heptaprenylglyceryl phosphate synthase, TRIETHYLENE GLYCOL | | 著者 | 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. | | 登録日 | 2012-10-17 | | 公開日 | 2012-12-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | 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 | | 分子名称: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | | 著者 | 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. | | 登録日 | 2012-10-17 | | 公開日 | 2012-12-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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2I19
 | | T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate | | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | | 著者 | Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E. | | 登録日 | 2006-08-13 | | 公開日 | 2006-10-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
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1T1S
 | | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | | 登録日 | 2004-04-17 | | 公開日 | 2004-09-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
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1T1R
 | | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | | 著者 | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | | 登録日 | 2004-04-17 | | 公開日 | 2004-09-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
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2LGI
 | | Atomic Resolution Protein Structures using NMR Chemical Shift Tensors | | 分子名称: | Immunoglobulin G-binding protein G | | 著者 | Wylie, B.J, Sperling, L.J, Nieuwkoop, A.J, Franks, W.T, Oldfield, E, Rienstra, C.M. | | 登録日 | 2011-07-26 | | 公開日 | 2011-10-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Ultrahigh resolution protein structures using NMR chemical shift tensors.
Proc.Natl.Acad.Sci.USA, 108, 2011
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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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2P1C
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-210 | | 分子名称: | ACETATE ION, BETA-MERCAPTOETHANOL, Farnesyl pyrophosphate synthase, ... | | 著者 | Cao, R, Gao, Y, Oldfield, E. | | 登録日 | 2007-03-04 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Proteins, 73, 2008
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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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3NPR
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP) | | 分子名称: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | 著者 | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | | 登録日 | 2010-06-28 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3EGT
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 | | 分子名称: | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | 著者 | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | 登録日 | 2008-09-11 | | 公開日 | 2009-05-05 | | 最終更新日 | 2024-02-21 | | 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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3EFQ
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714 | | 分子名称: | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | 著者 | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | 登録日 | 2008-09-09 | | 公開日 | 2009-05-05 | | 最終更新日 | 2024-02-21 | | 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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1PPV
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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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3DYH
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 | | 分子名称: | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM 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 (1.94 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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1PPW
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1X84
 | | IPP isomerase (wt) reacted with (S)-bromohydrine of IPP | | 分子名称: | (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... | | 著者 | Wouters, J, Oldfield, E. | | 登録日 | 2004-08-17 | | 公開日 | 2005-01-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
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3NRI
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS) | | 分子名称: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase | | 著者 | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | | 登録日 | 2010-06-30 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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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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