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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3LGZ
 | | 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
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3UTC
 | | Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate | | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UTD
 | | Ec_IspH in complex with 4-oxopentyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UV7
 | | Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-1-yl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UV3
 | | Ec_IspH in complex with but-2-ynyl diphosphate (1086) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3URK
 | | IspH in complex with propynyl diphosphate (1061) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-22 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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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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4U8C
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409 | | Descriptor: | 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4U8B
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1358 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4U8A
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4U82
 | | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | | Descriptor: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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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
 | | 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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3LEE
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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
 | | 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
 | | 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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5HN7
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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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5HNA
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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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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
 | | 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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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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