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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
3ACX
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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
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
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
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
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
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
3NPR
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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
3NRI
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Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS)
分子名称: (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase
著者Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E.
登録日2010-06-30
公開日2010-12-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
5H9D
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BU of 5h9d by Molmil
Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus
分子名称: C-terminal peptide from Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, Farnesyl pyrophosphate synthetase, Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, ...
著者Wei, H.L, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2015-12-28
公開日2016-12-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
ChemMedChem, 11, 2016
5HN7
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Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1158
分子名称: 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, Oldfield, 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 (2.15 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HNA
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Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1251
分子名称: 4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, Oldfield, 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 (2.693 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HN8
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Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182
分子名称: 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, 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 (2.7 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HN9
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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
3RYW
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BU of 3ryw by Molmil
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
著者No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2011-05-11
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SGV
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BU of 3sgv by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
分子名称: 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SH0
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Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
分子名称: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
分子名称: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
3TFV
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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
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
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
分子名称: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7EWH
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BU of 7ewh by Molmil
Crystal structure of human PHGDH in complex with Homoharringtonine
分子名称: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, D-3-phosphoglycerate dehydrogenase
著者Hsieh, C.H, Cheng, Y.S, Lee, Y.S, Huang, H.C, Juan, H.F.
登録日2021-05-25
公開日2022-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Homoharringtonine as a PHGDH inhibitor: Unraveling metabolic dependencies and developing a potent therapeutic strategy for high-risk neuroblastoma.
Biomed Pharmacother, 166, 2023
4EA1
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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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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

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