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5HN9
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BU of 5hn9 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1186
分子名称: 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, OIdfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
4EA1
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BU of 4ea1 by Molmil
Co-crystal structure of dehydrosqualene synthase (Crtm) from S. aureus with SQ-109
分子名称: 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
著者Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4GA3
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BU of 4ga3 by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260
分子名称: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2012-07-24
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
4F6X
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BU of 4f6x by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112
分子名称: 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
4EA0
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BU of 4ea0 by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ...
著者Lin, F.-Y, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4E9U
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BU of 4e9u by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor
分子名称: 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4E9Z
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Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with quinuclidine BPH-651 in the S1 site
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
著者Lin, F.-Y, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4EA2
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BU of 4ea2 by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) aureus complexed with SQ-109
分子名称: 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, ...
著者Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4F6V
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BU of 4f6v by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp.
分子名称: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
分子名称: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
登録日2011-08-18
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
3WCA
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BU of 3wca by Molmil
The complex structure of TcSQS with ligand, FSPP
分子名称: Farnesyltransferase, putative, MAGNESIUM ION, ...
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T.
登録日2013-05-26
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCH
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BU of 3wch by Molmil
The complex structure of HsSQS wtih ligand BPH1237
分子名称: Squalene synthase, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCD
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BU of 3wcd by Molmil
The complex structure of HsSQS wtih ligand, WC-9
分子名称: 2-(4-phenoxyphenoxy)ethyl thiocyanate, Squalene synthase
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCB
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BU of 3wcb by Molmil
The complex structure of TcSQS with ligand, BPH1237
分子名称: Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCL
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BU of 3wcl by Molmil
The complex structure of HsSQS wtih ligand,BPH1344
分子名称: Squalene synthase, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-28
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCI
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BU of 3wci by Molmil
The complex structure of HsSQS wtih ligand,BPH1325
分子名称: Squalene synthase, hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCG
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BU of 3wcg by Molmil
The complex structure of TcSQS with ligand, BPH1344
分子名称: Farnesyltransferase, putative, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCE
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BU of 3wce by Molmil
The complex structure of TcSQS with ligand, ER119884
分子名称: (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WC9
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BU of 3wc9 by Molmil
The complex structure of HsSQS wtih ligand, FSPP
分子名称: S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-26
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCM
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BU of 3wcm by Molmil
The complex structure of HsSQS wtih ligand, ER119884
分子名称: (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-28
公開日2014-06-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCF
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BU of 3wcf by Molmil
The complex structure of HsSQS wtih ligand,BPH1218
分子名称: Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCJ
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BU of 3wcj by Molmil
The complex structure of HsSQS wtih ligand,E5700
分子名称: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCC
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BU of 3wcc by Molmil
The complex structure of TcSQS with ligand, E5700
分子名称: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
分子名称: N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3A
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BU of 4h3a by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
分子名称: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013

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件を2024-08-28に公開中

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