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3ACW
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH BPH-651
Descriptor:Dehydrosqualene synthase, (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
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:2013-10-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ACX
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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:2013-10-30
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ACY
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH BPH-702
Descriptor:Dehydrosqualene synthase, (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION
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:2013-10-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ADZ
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH INTERMEDIATE PSPP
Descriptor:Dehydrosqualene synthase, {(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, MAGNESIUM ION
Authors:Liu, C.I., Jeng, W.Y., Wang, A.H.J., Oldfield, E.
Deposit date:2010-01-31
Release date:2010-11-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3AE0
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH GERANYLGERANYL THIOPYROPHOSPHATE
Descriptor:Dehydrosqualene synthase, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid, MAGNESIUM ION
Authors:Liu, C.I., Jeng, W.Y., Wang, A.H.J., Oldfield, E.
Deposit date:2010-01-31
Release date:2010-11-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
2ZY1
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH BISPHOSPHONATE BPH-830
Descriptor:Dehydrosqualene synthase, dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate
Authors:Liu, C.I., Jeng, W.Y., Wang, A.H.J., Oldfield, E.
Deposit date:2009-01-10
Release date:2009-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results.
J.Med.Chem., 52, 2009
5AEL
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-597
Descriptor:FARNESYL PYROPHOSPHATE SYNTHASE, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate), MAGNESIUM ION
Authors:Yang, G., Oldfield, E., No, J.H.
Deposit date:2014-12-26
Release date:2015-10-28
Last modified:2019-02-06
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
3TH8
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STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BPH-1063
Descriptor:Undecaprenyl pyrophosphate synthase, (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid
Authors:Cao, R., Zhu, W., Zhang, Y., Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
2E98
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E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-629
Descriptor:Undecaprenyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
Authors:Guo, R.T., Ko, T.P., Cao, R., Liang, P.H., Oldfield, E., Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E99
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E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-608
Descriptor:Undecaprenyl pyrophosphate synthetase, (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID
Authors:Guo, R.T., Ko, T.P., Cao, R., Liang, P.H., Oldfield, E., Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E9A
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E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-628
Descriptor:Undecaprenyl pyrophosphate synthetase, (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID
Authors:Guo, R.T., Ko, T.P., Cao, R., Liang, P.H., Oldfield, E., Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E9C
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E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-675
Descriptor:Undecaprenyl pyrophosphate synthetase, 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID
Authors:Guo, R.T., Ko, T.P., Cao, R., Liang, P.H., Oldfield, E., Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E9D
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E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-676
Descriptor:Undecaprenyl pyrophosphate synthetase, [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Authors:Guo, R.T., Cao, R., Ko, T.P., Liang, P.H., Oldfield, E., Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2ZEU
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S. CEREVISIAE GERANYLGERANYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-715
Descriptor:Geranylgeranyl pyrophosphate synthetase, 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM
Authors:Guo, R.T., Chen, C.K.-M., Cao, R., Oldfield, E., Wang, A.H.-J.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2011-07-13
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
2ZEV
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S. CEREVISIAE GERANYLGERANYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH MAGNESIUM, IPP AND BPH-715
Descriptor:Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ...
Authors:Guo, R.T., Chen, C.K.-M., Cao, R., Oldfield, E., Wang, A.H.-J.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.23 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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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-461 AND ISOPENTYL DIPHOSPHATE
Descriptor:FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, 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:2011-07-13
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
3DYG
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-461
Descriptor:FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, 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:2011-07-13
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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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-721
Descriptor:Farnesyl pyrophosphate synthase, MAGNESIUM ION, 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium
Authors:Cao, R., Gao, Y., Robinson, H., Goddard, A., Oldfield, E.
Deposit date:2008-07-27
Release date:2009-05-05
Last modified:2011-07-13
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
3EFQ
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-714
Descriptor:Farnesyl pyrophosphate synthase, MAGNESIUM ION, 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium
Authors:Cao, R., Gao, Y., Robinson, H., Oldfield, E.
Deposit date:2008-09-09
Release date:2009-05-05
Last modified:2011-07-13
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
3EGT
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-722
Descriptor:Farnesyl pyrophosphate synthase, MAGNESIUM ION, 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium
Authors:Cao, R., Gao, Y., Robinson, H., Oldfield, E.
Deposit date:2008-09-11
Release date:2009-05-05
Last modified:2011-07-13
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
3RBM
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CRYSTAL STRUCTURE OF PLASMODIUM VIVAX GERANYLGERANYLPYROPHOSPHATE SYNTHASE COMPLEXED WITH BPH -703
Descriptor:Farnesyl pyrophosphate synthase, MAGNESIUM ION, 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, ...
Authors:Liu, Y.L., No, J.H., Oldfield, E.
Deposit date:2011-03-29
Release date:2012-02-29
Last modified:2012-05-23
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
3RYW
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CRYSTAL STRUCTURE OF P. VIVAX GERANYLGERANYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BPH-811
Descriptor:Farnesyl pyrophosphate synthase, {2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid), MAGNESIUM ION, ...
Authors:No, J.H., Liu, Y.-L., Zhang, Y., Oldfield, E.
Deposit date:2011-05-11
Release date:2012-05-23
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
3SGT
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CRYSTAL STRUCTURE OF E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-1299
Descriptor:Undecaprenyl pyrophosphate synthase, 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
Authors:Cao, R., Liu, Y.-L., Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGV
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CRYSTAL STRUCTURE OF E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-1290
Descriptor:Undecaprenyl pyrophosphate synthase, 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid
Authors:Cao, R., Liu, Y.-L., Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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CRYSTAL STRUCTURE OF E. COLI UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-1100
Descriptor:Undecaprenyl pyrophosphate synthase, 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid
Authors:Cao, R., Liu, Y.-L., Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013