3LGZ
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![BU of 3lgz by Molmil](/molmil-images/mine/3lgz) | 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
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1EZF
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![BU of 1ezf by Molmil](/molmil-images/mine/1ezf) | 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
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4HD1
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![BU of 4hd1 by Molmil](/molmil-images/mine/4hd1) | |
5IYS
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![BU of 5iys by Molmil](/molmil-images/mine/5iys) | 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
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8WTR
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![BU of 8wtr by Molmil](/molmil-images/mine/8wtr) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid | Descriptor: | (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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8WTQ
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![BU of 8wtq by Molmil](/molmil-images/mine/8wtq) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid | Descriptor: | 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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4F6V
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![BU of 4f6v by Molmil](/molmil-images/mine/4f6v) | 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
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4F6X
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![BU of 4f6x by Molmil](/molmil-images/mine/4f6x) | 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
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3NPR
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![BU of 3npr by Molmil](/molmil-images/mine/3npr) | 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
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3LEE
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![BU of 3lee by Molmil](/molmil-images/mine/3lee) | |
7VWT
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![BU of 7vwt by Molmil](/molmil-images/mine/7vwt) | 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: | 2024-04-03 | 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
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7WGI
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![BU of 7wgi by Molmil](/molmil-images/mine/7wgi) | 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
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7WGH
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![BU of 7wgh by Molmil](/molmil-images/mine/7wgh) | 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
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3Q2Z
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![BU of 3q2z by Molmil](/molmil-images/mine/3q2z) | 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
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8IS8
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![BU of 8is8 by Molmil](/molmil-images/mine/8is8) | CrtMLIKE with two GsPP molecules | Descriptor: | CrtM, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION | Authors: | Park, J.y. | Deposit date: | 2023-03-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CrtMLIKE with two GsPP molecules To Be Published
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8IS9
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![BU of 8is9 by Molmil](/molmil-images/mine/8is9) | CrtMLIKE with one FsPP molecule | Descriptor: | CrtM, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Park, J.Y. | Deposit date: | 2023-03-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | CrtMLIKE with one FsPP molecule To Be Published
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8ISA
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![BU of 8isa by Molmil](/molmil-images/mine/8isa) | CrtMLIKE with one GsPP molecule | Descriptor: | CrtM, GERANYL S-THIOLODIPHOSPHATE | Authors: | Park, J.Y. | Deposit date: | 2023-03-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | CrtMLIKE with one GsPP molecule To Be Published
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8IS6
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![BU of 8is6 by Molmil](/molmil-images/mine/8is6) | Apo-CrtMLIKE | Descriptor: | CrtM | Authors: | Park, J.Y. | Deposit date: | 2023-03-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CrtMKLIKE Apo structure To Be Published
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8IS7
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![BU of 8is7 by Molmil](/molmil-images/mine/8is7) | CrtMLIKE with two FsPP molecules. | Descriptor: | CrtM, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Park, J.Y. | Deposit date: | 2023-03-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | CrtMLIKE with two FsPP molecules. To Be Published
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4EA1
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![BU of 4ea1 by Molmil](/molmil-images/mine/4ea1) | 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
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3TFP
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![BU of 3tfp by Molmil](/molmil-images/mine/3tfp) | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2011-08-16 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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4EA2
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![BU of 4ea2 by Molmil](/molmil-images/mine/4ea2) | 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
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3TFV
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![BU of 3tfv by Molmil](/molmil-images/mine/3tfv) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2011-08-16 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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3TFN
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![BU of 3tfn by Molmil](/molmil-images/mine/3tfn) | |
3Q30
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![BU of 3q30 by Molmil](/molmil-images/mine/3q30) | 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
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