1MZJ
 
 | | Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway | | Descriptor: | ACETYL GROUP, Beta-ketoacylsynthase III, COENZYME A | | Authors: | Pan, H, Tsai, S.C, Meadows, E.S, Miercke, L.J.W, Keatinge-Clay, A, O'Connell, J, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-10-08 | | Release date: | 2002-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the priming beta-ketosynthase from the
R1128 polyketide biosynthetic pathway
Structure, 10
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2KG6
 | | Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | | Authors: | Crump, M.P, Evans, S.E, Eliza, P, Christopher, W. | | Deposit date: | 2009-03-06 | | Release date: | 2009-04-14 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
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4B0N
 | | Crystal structure of PKS-I from the brown algae Ectocarpus siliculosus | | Descriptor: | ARACHIDONIC ACID, MALONIC ACID, POLYKETIDE SYNTHASE III | | Authors: | Leroux, C, Meslet-Cladiere, L, Delage, L, Goulitquer, S, Leblanc, C, Ar Gall, E, Stiger-Pouvreau, V, Potin, P, Czjzek, M. | | Deposit date: | 2012-07-03 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure/Function Analysis of a Type III Polyketide Synthase in the Brown Alga Ectocarpus Siliculosus Reveals a Biochemical Pathway in Phlorotannin Monomer Biosynthesis.
Plant Cell, 25, 2013
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3PCV
 | | Crystal structure analysis of human leukotriene C4 synthase at 1.9 angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ... | | Authors: | Saino, H, Ago, H, Miyano, M. | | Deposit date: | 2010-10-22 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The catalytic architecture of leukotriene C4 synthase with two arginine residues
J.Biol.Chem., 286, 2011
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1XPM
 | | Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine | | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ... | | Authors: | Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T. | | Deposit date: | 2004-10-08 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
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1XPK
 | | CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE | | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ... | | Authors: | Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T. | | Deposit date: | 2004-10-08 | | Release date: | 2004-11-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
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3V7I
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1XPL
 | | Crystal Structure of Staphylococcus aureus HMG-COA Synthase with Acetoacetyl-COA and Acetylated Cysteine | | Descriptor: | 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, SULFATE ION | | Authors: | Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T. | | Deposit date: | 2004-10-08 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
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2VCZ
 | | Complex structure of prostaglandin D2 synthase at 1.95A. | | Descriptor: | 3-(4-nitrophenyl)-1H-pyrazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE | | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | | Deposit date: | 2007-09-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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2VCQ
 | | Complex structure of prostaglandin D2 synthase at 1.95A. | | Descriptor: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE | | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | | Deposit date: | 2007-09-26 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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1IK3
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH 13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID | | Descriptor: | (TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID, (TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-OCTADECENOIC ACID, 13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID, ... | | Authors: | Skrzypczak-Jankun, E, Funk Jr, M.O. | | Deposit date: | 2001-05-01 | | Release date: | 2001-11-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of a purple lipoxygenase.
J.Am.Chem.Soc., 123, 2001
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2VCX
 | | Complex structure of prostaglandin D2 synthase at 2.1A. | | Descriptor: | GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION, ... | | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | | Deposit date: | 2007-09-27 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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2Z6J
 | | Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID, CALCIUM ION, ... | | Authors: | Saito, J, Yamada, M, Watanabe, T, Takeuchi, Y. | | Deposit date: | 2007-08-01 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
Protein Sci., 17, 2008
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3HKK
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5HNR
 | | The X-ray structure of octameric human native 5-aminolaevulinic acid dehydratase. | | Descriptor: | DELTA-AMINO VALERIC ACID, Delta-aminolevulinic acid dehydratase, SULFATE ION, ... | | Authors: | Mills-Davies, N.L, Thompson, D, Shoolingin-Jordan, P.M, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-01-18 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
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3B6H
 | | Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil | | Descriptor: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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3B29
 | | Human leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside | | Descriptor: | GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION, ... | | Authors: | Saino, H, Ago, H, Miyano, M. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Seleno-detergent MAD phasing of leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside
Acta Crystallogr.,Sect.F, 67, 2011
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2FAC
 | | Crystal structure of E. coli hexanoyl-ACP | | Descriptor: | Acyl carrier protein, S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE, ZINC ION | | Authors: | Roujeinikova, A. | | Deposit date: | 2005-12-07 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Studies of Fatty Acyl-(Acyl Carrier Protein) Thioesters Reveal a Hydrophobic Binding Cavity that Can Expand to Fit Longer Substrates.
J.Mol.Biol., 365, 2007
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2FAE
 | | Crystal structure of E. coli decanoyl-ACP | | Descriptor: | Acyl carrier protein, O-PHOSPHOETHANOLAMINE, S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE, ... | | Authors: | Roujeinikova, A. | | Deposit date: | 2005-12-07 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Studies of Fatty Acyl-(Acyl Carrier Protein) Thioesters Reveal a Hydrophobic Binding Cavity that Can Expand to Fit Longer Substrates.
J.Mol.Biol., 365, 2007
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2FAD
 | | Crystal structure of E. coli heptanoyl-ACP | | Descriptor: | Acyl carrier protein, S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE, SODIUM ION, ... | | Authors: | Roujeinikova, A. | | Deposit date: | 2005-12-07 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Studies of Fatty Acyl-(Acyl Carrier Protein) Thioesters Reveal a Hydrophobic Binding Cavity that Can Expand to Fit Longer Substrates.
J.Mol.Biol., 365, 2007
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8IN9
 | | The structure of the GfsA KSQ-AT didomain in complex with the GfsA ACP domain | | Descriptor: | N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, Polyketide synthase | | Authors: | Chisuga, T, Murakami, S, Miyanaga, A, Kudo, F, Eguchi, T. | | Deposit date: | 2023-03-09 | | Release date: | 2023-05-31 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-Based Analysis of Transient Interactions between Ketosynthase-like Decarboxylase and Acyl Carrier Protein in a Loading Module of Modular Polyketide Synthase.
Acs Chem.Biol., 18, 2023
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6KOG
 | | Ketosynthase domain in tenuazonic acid synthetase 1 (TAS1). | | Descriptor: | GLYCEROL, Hybrid PKS-NRPS synthetase TAS1, SULFATE ION | | Authors: | Yun, C.S, Nishimoto, K, Motoyama, T, Hino, T, Nagano, S, Osada, H. | | Deposit date: | 2019-08-10 | | Release date: | 2020-07-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Unique features of the ketosynthase domain in a nonribosomal peptide synthetase-polyketide synthase hybrid enzyme, tenuazonic acid synthetase 1.
J.Biol.Chem., 295, 2020
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6QSP
 | | Ketosynthase (ApeO) in Complex with its Chain Length Factor (ApeC) from Xenorhabdus doucetiae | | Descriptor: | Beta-ketoacyl synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H. | | Deposit date: | 2019-02-21 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
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4Z8D
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5BNR
 | | E. coli Fabh with small molecule inhibitor 2 | | Descriptor: | 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | | Authors: | Kazmirski, S.L, McKinney, D.C. | | Deposit date: | 2015-05-26 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
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