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:2018-01-31
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
2ZCO
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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:2011-07-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
2ZCQ
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH BISPHOSPHONATE BPH-652
Descriptor:Dehydrosqualene synthase, (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, 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:2011-07-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
2ZCR
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH BISPHOSPHONATE BPH-698
Descriptor:Dehydrosqualene synthase, tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate, 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:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
2ZCS
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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:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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
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
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:Squalene synthase, PHOSPHATE ION, (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
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:2017-10-11
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
3LEE
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CRYSTAL STRUCTURE OF THE HUMAN SQUALENE SYNTHASE COMPLEXED WITH BPH-652
Descriptor:Squalene synthetase, (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION
Authors:Liu, Y.-L., Lin, F.-Y., Oldfield, E.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2011-07-13
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
3LGZ
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CRYSTAL STRUCTURE OF DEHYDROSQUALENE SYNTHASE Y129A FROM S. AUREUS COMPLEXED WITH PRESQUALENE PYROPHOSPHATE
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: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:2011-07-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3NPR
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CRYSTAL STRUCTURE OF THE C(30) CAROTENOID DEHYDROSQUALENE SYNTHASE FROM S. AUREUS COMPLEXED WITH PRESQUALENE DIPHOSPHATE (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: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:2011-07-13
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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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:Squalene synthase, PHOSPHATE ION, 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
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:2017-11-08
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:Squalene synthase, MAGNESIUM ION, (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, ...
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:2017-11-08
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
3TFN
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CRYSTAL STRUCTURE OF DEHYDROSQUALENE SYNTHASE (CRTM) FROM S. AUREUS COMPLEXED WITH BPH-1183
Descriptor:Dehydrosqualene synthase, (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid, MAGNESIUM ION
Authors:Lin, F.-Y., Liu, Y.-L., Oldfield, E.
Deposit date:2011-08-16
Release date:2012-04-04
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3TFP
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CRYSTAL STRUCTURE OF DEHYDROSQUALENE SYNTHASE (CRTM) FROM S. AUREUS COMPLEXED WITH BPH-1162
Descriptor:Dehydrosqualene synthase, MAGNESIUM ION, 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid
Authors:Lin, F.-Y., Liu, Y.-L., Zhang, Y., Oldfield, E.
Deposit date:2011-08-16
Release date:2012-04-04
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3TFV
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CRYSTAL STRUCTURE OF DEHYDROSQUALENE SYNTHASE (CRTM) FROM S. AUREUS COMPLEXED WITH BPH-1154
Descriptor:Dehydrosqualene synthase, MAGNESIUM ION, 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
Authors:Lin, F.-Y., Zhang, Y., Liu, Y.-L., Oldfield, E.
Deposit date:2011-08-16
Release date:2012-04-04
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3V66
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HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-CHLORO-6-(2,3-DIMETHOXYPHENYL)-4H,6H-PYRROLO[1,2-A][4,1]BENZOXAZEPIN-4-YL]ACETYL}-4-PIPERIDINYL)ACETIC ACID
Descriptor:Squalene synthase, PHOSPHATE ION, (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid
Authors:Suzuki, M., Ohtsuka, M., Ohki, H., Haginoya, N., Itoh, M., Sugita, K., Usui, H., Ichikawa, M., Higashihashi, N.
Deposit date:2011-12-18
Release date:2012-12-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012
3VJ8
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CRYSTAL STRUCTURE OF THE HUMAN SQUALENE SYNTHASE
Descriptor:Squalene synthase
Authors:Liu, C.I., Jeng, W.Y., Chang, W.J., Wang, A.H.J.
Deposit date:2011-10-14
Release date:2012-04-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
3VJ9
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CRYSTAL STRUCTURE OF THE HUMAN SQUALENE SYNTHASE
Descriptor:Squalene synthase, CALCIUM ION, NICKEL (II) ION
Authors:Liu, C.I., Jeng, W.Y., Chang, W.J., Wang, A.H.J.
Deposit date:2011-10-14
Release date:2012-04-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
3VJA
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CRYSTAL STRUCTURE OF THE HUMAN SQUALENE SYNTHASE
Descriptor:Squalene synthase, NICKEL (II) ION
Authors:Liu, C.I., Jeng, W.Y., Chang, W.J., Wang, A.H.J.
Deposit date:2011-10-14
Release date:2012-04-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
3VJB
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CRYSTAL STRUCTURE OF THE HUMAN SQUALENE SYNTHASE
Descriptor:Squalene synthase
Authors:Liu, C.I., Jeng, W.Y., Chang, W.J., Wang, A.H.J.
Deposit date:2011-10-14
Release date:2012-04-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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