6KXE
 
 | | The ishigamide ketosynthase/chain length factor | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | | Deposit date: | 2019-09-10 | | Release date: | 2020-05-06 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
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2AF8
 | | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | | Authors: | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | | Deposit date: | 1997-03-23 | | Release date: | 1997-09-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2).
Biochemistry, 36, 1997
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4JRZ
 | | Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis | | Descriptor: | Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ... | | Authors: | Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. | | Deposit date: | 2013-03-22 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
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4JCZ
 | | Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis | | Descriptor: | Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ... | | Authors: | Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. | | Deposit date: | 2013-02-22 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
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4JC7
 | | Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis | | Descriptor: | Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ... | | Authors: | Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. | | Deposit date: | 2013-02-21 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
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3TZZ
 | | Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the carboxypalmitoylated form at 2.5 A | | Descriptor: | 12-mer peptide, 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, ... | | Authors: | Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C. | | Deposit date: | 2011-09-28 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
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3TZY
 | | Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the palmitoylated form at 2.2 A | | Descriptor: | 12-mer peptide, GLYCEROL, PALMITIC ACID, ... | | Authors: | Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C. | | Deposit date: | 2011-09-28 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
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1AF8
 | | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, 24 STRUCTURES | | Descriptor: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | | Authors: | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | | Deposit date: | 1997-03-23 | | Release date: | 1997-09-26 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2).
Biochemistry, 36, 1997
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5DU6
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | | Descriptor: | (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5DU8
 | | Crystal structure of M. tuberculosis EchA6 bound to GSK572A | | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5DUC
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | | Descriptor: | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5DTP
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5DU4
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5DTW
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5FUS
 | | Crystal structure of B. cenocepacia DfsA | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LAURIC ACID, ... | | Authors: | Spadaro, F, Scoffone, V.C, Chiarelli, L.R, Fumagalli, M, Buroni, S, Riccardi, G, Forneris, F. | | Deposit date: | 2016-01-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The Crystal Structure of Burkholderia Cenocepacia Dfsa Provides Insights Into Substrate Recognition and Quorum Sensing Fatty Acid Biosynthesis.
Biochemistry, 55, 2016
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4AMO
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2PTG
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5FLG
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP | | Descriptor: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
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8CG4
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1FJ8
 | | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I | | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | | Deposit date: | 2000-08-07 | | Release date: | 2000-08-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
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2QO0
 | | Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QNZ
 | | Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QX1
 | | Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide | | Descriptor: | Beta-ketoacyl-ACP synthase III, COENZYME A, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-08-10 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Probing reactivity and substrate specificity of both subunits of the dimeric Mycobacterium tuberculosis FabH using alkyl-CoA disulfide inhibitors and acyl-CoA substrates
Bioorg.Chem., 36, 2008
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3U0E
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8I4Y
 | | CalA3 complex structure with amidation product | | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | | Authors: | Wang, J, Wang, Z. | | Deposit date: | 2023-01-21 | | Release date: | 2023-02-22 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
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