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3RYW
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BU of 3ryw by Molmil
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
Authors:No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2011-05-11
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 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
2LGI
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BU of 2lgi by Molmil
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
2I19
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BU of 2i19 by Molmil
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
3LGZ
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BU of 3lgz by Molmil
Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate
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, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E.
Deposit date:2010-01-21
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
Descriptor: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
Authors:Liu, Y.-L, Lin, F.-Y, Oldfield, E.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
1T1S
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BU of 1t1s by Molmil
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
1T1R
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BU of 1t1r by Molmil
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
3RBM
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BU of 3rbm by Molmil
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
3EGT
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BU of 3egt by Molmil
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
3EFQ
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BU of 3efq by Molmil
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
3DYG
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BU of 3dyg by Molmil
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
3DYH
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BU of 3dyh by Molmil
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
3DYF
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BU of 3dyf by Molmil
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
5AEL
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BU of 5ael by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2014-12-26
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
2OGD
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BU of 2ogd by Molmil
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
2P1C
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BU of 2p1c by Molmil
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
2OPN
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BU of 2opn by Molmil
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
3QAS
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BU of 3qas by Molmil
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
3NPR
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BU of 3npr by Molmil
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
3NRI
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BU of 3nri by Molmil
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
3ID0
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BU of 3id0 by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 3-Fluoro-1-(2-hydroxy-2,2-bisphosphono-ethyl)pyridinium
Descriptor: 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-19
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
3ICZ
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BU of 3icz by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-19
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
3IBA
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BU of 3iba by Molmil
Crystal structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with zoledronate, IPP and Mg2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
3ICK
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BU of 3ick by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate
Descriptor: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETIC ACID, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-17
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
3ICN
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BU of 3icn by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium
Descriptor: 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-17
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010

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