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1EZF
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CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE
Descriptor: FARNESYL-DIPHOSPHATE FARNESYLTRANSFERASE, N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID
Authors:Pandit, J, Danley, D.E, Schulte, G.K, Mazzalupo, S.M, Pauly, T.A, Hayward, C.M, Hamanaka, E.S, Thompson, J.F, Harwood, H.J.
Deposit date:2000-05-10
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis.
J.Biol.Chem., 275, 2000
5IYS
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Crystal structure of a dehydrosqualene synthase in complex with ligand
Descriptor: MAGNESIUM ION, Phytoene synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Liu, G.Z, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of a dehydrosqualene synthase in complex with ligand
to be published
3LGZ
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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
7VWT
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BU of 7vwt by Molmil
Carbazole Prenyl Transferase CqsB4
Descriptor: 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, CqsB4, DI(HYDROXYETHYL)ETHER, ...
Authors:Suemune, H, Nagata, R, Kuzuyama, T, Nagano, S.
Deposit date:2021-11-11
Release date:2022-03-23
Last modified:2022-05-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for the Prenylation Reaction of Carbazole-Containing Natural Products Catalyzed by Squalene Synthase-Like Enzymes.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WGH
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BU of 7wgh by Molmil
Crystal structure of AflSQS from Aspergillus flavus in complex with FSPP
Descriptor: PHOSPHATE ION, PYROPHOSPHATE 2-, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Shang, N, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-12-28
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Structural and Bioinformatics Investigation of a Fungal Squalene Synthase and Comparisons with Other Membrane Proteins.
Acs Omega, 7, 2022
7WGI
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Crystal structure of AflSQS from Aspergillus flavus
Descriptor: INDOLE, PHOSPHATE ION, Squalene synthase
Authors:Shang, N, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-12-28
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Structural and Bioinformatics Investigation of a Fungal Squalene Synthase and Comparisons with Other Membrane Proteins.
Acs Omega, 7, 2022
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
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
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
Descriptor: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
Authors:Liu, Y.-L, Lin, F.-Y, Oldfield, E.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
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
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
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:2023-11-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
4F6V
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp.
Descriptor: (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, ...
Authors:Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-05-15
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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
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:2023-11-01
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
4F6X
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112
Descriptor: 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ...
Authors:Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-05-15
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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
Descriptor: (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, 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:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ASX
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Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
Descriptor: (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid, PHOSPHATE ION, Squalene synthase
Authors:Shimizu, H, Suzuki, M, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-22
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
4HD1
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BU of 4hd1 by Molmil
Crystal structure of squalene synthase HpnC from Alicyclobacillus acidocaldarius
Descriptor: SULFATE ION, Squalene synthase HpnC
Authors:Chang, C, Bearden, J, Li, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-10-01
Release date:2012-10-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of squalene synthase HpnC from Alicyclobacillus acidocaldarius
To be Published
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)
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
3Q2Z
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BU of 3q2z by Molmil
Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid
Descriptor: N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid, PHOSPHATE ION, Squalene synthase
Authors:Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
3Q30
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Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid
Descriptor: (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
4EA1
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BU of 4ea1 by Molmil
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
4EA2
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BU of 4ea2 by Molmil
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
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BU of 4e9u by Molmil
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
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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
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 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
Descriptor: Dehydrosqualene synthase, tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
Deposit date:2007-11-11
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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
Descriptor: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
Deposit date:2007-11-11
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
2ZCO
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BU of 2zco by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus
Descriptor: Dehydrosqualene synthase
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
Deposit date:2007-11-11
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008

 

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