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PDB: 25 件
3ACX
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BU of 3acx by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673
分子名称: Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3VJD
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BU of 3vjd by Molmil
Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus
分子名称: Dehydrosqualene synthase, L(+)-TARTARIC ACID
著者Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J.
登録日2011-10-14
公開日2012-04-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
2ZCO
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BU of 2zco by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus
分子名称: Dehydrosqualene synthase
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
3ACW
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BU of 3acw by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
2ZY1
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BU of 2zy1 by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-830
分子名称: Dehydrosqualene synthase, dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2009-01-10
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results.
J.Med.Chem., 52, 2009
3ACY
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BU of 3acy by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702
分子名称: (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ADZ
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BU of 3adz by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with intermediate PSPP
分子名称: 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
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-31
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
2ZCR
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BU of 2zcr by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-698
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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
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)
分子名称: 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
著者Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E.
登録日2010-06-28
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3TFP
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BU of 3tfp by Molmil
Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162
分子名称: 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
2ZCS
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BU of 2zcs by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-700
分子名称: Dehydrosqualene synthase, tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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
4E9Z
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BU of 4e9z by Molmil
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
3TFN
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BU of 3tfn by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1183
分子名称: (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Liu, Y.-L, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 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
3VJE
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BU of 3vje by Molmil
Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus in complex with zaragozic acid A
分子名称: Dehydrosqualene synthase, Zaragozic acid A
著者Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J.
登録日2011-10-14
公開日2012-04-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 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
3W7F
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BU of 3w7f by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus aureus complexed with farnesyl thiopyrophosphate
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2013-02-28
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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
3AE0
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BU of 3ae0 by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-31
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
2ZCQ
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BU of 2zcq by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-652
分子名称: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
3LGZ
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BU of 3lgz by Molmil
Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate
分子名称: 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
著者Lin, F.-Y, Liu, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E.
登録日2010-01-21
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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
3TFV
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BU of 3tfv by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154
分子名称: 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012

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