3TH8
 
 | | Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063 | | Descriptor: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase | | Authors: | Cao, R, Zhu, W, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-18 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
|
|
4EA2
 | | Crystal structure of dehydrosqualene synthase (Crtm) aureus complexed with SQ-109 | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, ... | | Authors: | Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-03-21 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
|
|
4E9U
 | | Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor | | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E. | | Deposit date: | 2012-03-21 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
|
|
4E9Z
 | |
4EA0
 | | Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651 | | Descriptor: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ... | | Authors: | Lin, F.-Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-03-21 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
|
|
3TFP
 | | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
|
|
3TFV
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
|
|
3TFN
 | |
4EA1
 | | Co-crystal structure of dehydrosqualene synthase (Crtm) from S. aureus with SQ-109 | | Descriptor: | Dehydrosqualene synthase, N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine | | Authors: | Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-03-21 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
|
|
2E9A
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628 | | Descriptor: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | 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: | 2023-10-25 | | 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
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-675 | | Descriptor: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | 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: | 2023-10-25 | | 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
 | | 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: | 2023-10-25 | | 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
|
|
2E98
 | | 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: | 2023-10-25 | | 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
|
|
2E94
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364 | | Descriptor: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2E95
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675 | | Descriptor: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2E8V
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with product GGPP (P21) | | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase | | Authors: | Chen, C.K.-M, Guo, R.T, Ko, T.P, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-23 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2E92
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-261 | | Descriptor: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Jeng, W.Y, Chen, C.K.-M, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2E8U
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and IPP (P21) | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Ko, T.P, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-23 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2E91
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-91 | | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ZOLEDRONIC ACID | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
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
|
|
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
|
|
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
|
|
2EWG
 | | T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate | | Descriptor: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), MAGNESIUM ION, S-1,2-PROPANEDIOL, ... | | Authors: | Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E. | | Deposit date: | 2005-11-03 | | Release date: | 2006-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
|
|
4KT8
 | | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2013-05-20 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
|
|
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
|
|
