4H2M
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![BU of 4h2m by Molmil](/molmil-images/mine/4h2m) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2012-09-12 | Release date: | 2012-12-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
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![BU of 5hn8 by Molmil](/molmil-images/mine/5hn8) | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182 | Descriptor: | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ... | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2016-01-18 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase. Biochemistry, 55, 2016
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3W02
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![BU of 3w02 by Molmil](/molmil-images/mine/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
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![BU of 3w01 by Molmil](/molmil-images/mine/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
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![BU of 3vzz by Molmil](/molmil-images/mine/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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2I19
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![BU of 2i19 by Molmil](/molmil-images/mine/2i19) | T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | Authors: | Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E. | Deposit date: | 2006-08-13 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | 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
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![BU of 1t1s by Molmil](/molmil-images/mine/1t1s) | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION, SULFATE ION, ... | Authors: | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | Deposit date: | 2004-04-17 | Release date: | 2004-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes J.Am.Chem.Soc., 126, 2004
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1T1R
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![BU of 1t1r by Molmil](/molmil-images/mine/1t1r) | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | Authors: | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | Deposit date: | 2004-04-17 | Release date: | 2004-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes J.Am.Chem.Soc., 126, 2004
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2LGI
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![BU of 2lgi by Molmil](/molmil-images/mine/2lgi) | Atomic Resolution Protein Structures using NMR Chemical Shift Tensors | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Wylie, B.J, Sperling, L.J, Nieuwkoop, A.J, Franks, W.T, Oldfield, E, Rienstra, C.M. | Deposit date: | 2011-07-26 | Release date: | 2011-10-26 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | Ultrahigh resolution protein structures using NMR chemical shift tensors. Proc.Natl.Acad.Sci.USA, 108, 2011
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2OGD
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![BU of 2ogd by Molmil](/molmil-images/mine/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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2P1C
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![BU of 2p1c by Molmil](/molmil-images/mine/2p1c) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-210 | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, Farnesyl pyrophosphate synthase, ... | Authors: | Cao, R, Gao, Y, Oldfield, E. | Deposit date: | 2007-03-04 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases. Proteins, 73, 2008
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2OPN
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![BU of 2opn by Molmil](/molmil-images/mine/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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3NPR
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![BU of 3npr by Molmil](/molmil-images/mine/3npr) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP) | Descriptor: | 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 | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | Deposit date: | 2010-06-28 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3EGT
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![BU of 3egt by Molmil](/molmil-images/mine/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
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![BU of 3efq by Molmil](/molmil-images/mine/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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1PPV
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3DYG
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![BU of 3dyg by Molmil](/molmil-images/mine/3dyg) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 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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3DYH
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![BU of 3dyh by Molmil](/molmil-images/mine/3dyh) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 | Descriptor: | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.94 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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3DYF
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![BU of 3dyf by Molmil](/molmil-images/mine/3dyf) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 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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1PPW
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1X84
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![BU of 1x84 by Molmil](/molmil-images/mine/1x84) | IPP isomerase (wt) reacted with (S)-bromohydrine of IPP | Descriptor: | (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... | Authors: | Wouters, J, Oldfield, E. | Deposit date: | 2004-08-17 | Release date: | 2005-01-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc., 127, 2005
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3NRI
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![BU of 3nri by Molmil](/molmil-images/mine/3nri) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS) | Descriptor: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | Deposit date: | 2010-06-30 | Release date: | 2010-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3QAS
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![BU of 3qas by Molmil](/molmil-images/mine/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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