9MQF
 
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9MLW
 | | Crosslinked complex of ketosynthase FabB mutant FabBG107M and acyl carrier protein AcpP from E.coli with C8 crosslinker | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-octanamidoethyl)-beta-alaninamide | | Authors: | Jiang, Z, Sankaran, B, Burkart, M.D, Fox, J.M. | | Deposit date: | 2024-12-19 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Biomolecular Plasticity Permits Diverse Product Profiles in Ketosynthase Mutants
To Be Published
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9N51
 | | Crosslinked Crystal Structure of Human Mitochondrial Ketosynthase, OXSM, and Crosslinker-crypto Human Mitochondrial Acyl Carrier Protein, C8Cl-mACP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial, Acyl carrier protein, ... | | Authors: | Suo, Y, Jiang, Z, Heberlig, G.W, Wang, E.Y, Chen, A, Sankaran, B, La Clair, J.J, Burkart, M.D. | | Deposit date: | 2025-02-03 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Role of Human Mitochondrial Ketosynthase in Long-Chain Fatty Acid Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9N50
 | | Crosslinked Crystal Structure of Human Mitochondrial Ketosynthase, OXSM, and Crosslinker-crypto Human Mitochondrial Acyl Carrier Protein, C8aBr-mACP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial, Acyl carrier protein, ... | | Authors: | Suo, Y, Jiang, Z, Heberlig, G.W, Wang, E.Y, Chen, A, Sankaran, B, La Clair, J.J, Burkart, M.D. | | Deposit date: | 2025-02-03 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Role of Human Mitochondrial Ketosynthase in Long-Chain Fatty Acid Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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6U0J
 | | Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP | | Descriptor: | 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ... | | Authors: | Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-08-14 | | Release date: | 2020-07-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5KBZ
 | | Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic | | Descriptor: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase | | Authors: | Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A. | | Deposit date: | 2016-06-03 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5JDX
 | | PigG holo | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Putative peptidyl carrier protein | | Authors: | Jaremko, M.J, Lee, D.J, Burkart, M.D. | | Deposit date: | 2016-04-17 | | Release date: | 2017-08-23 | | Last modified: | 2025-04-02 | | Method: | SOLUTION NMR | | Cite: | PigG holo
To Be Published
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6OKC
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6OKG
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6OLT
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-17 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6OKF
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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9BFG
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9BFE
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex B | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate, ADENOSINE MONOPHOSPHATE, Tyrocidine synthase 1, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Last modified: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Crosslinking intermodular condensation in non-ribosomal peptide biosynthesis.
Nature, 638, 2025
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9BFF
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex C | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10,15-tetraoxo-2-oxa-7,11,14-triaza-1lambda~5~-phosphahexadecan-16-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10-trioxo-2-oxa-7,11-diaza-1lambda~5~-phosphatridecan-13-yl]carbamate (non-preferred name), Tyrocidine synthase 1, Tyrocidine synthase 2 | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Last modified: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Crosslinking intermodular condensation in non-ribosomal peptide biosynthesis.
Nature, 638, 2025
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9BFD
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex A | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate, 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, Tyrocidine synthase 1, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Last modified: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Crosslinking intermodular condensation in non-ribosomal peptide biosynthesis.
Nature, 638, 2025
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9C3W
 | | Crystal structure of biphenyl synthase from Malus domestica complexed with diketide-CoA mimetics | | Descriptor: | (3R)-butane-1,3-diol, BIS3 biphenyl synthase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3-oxo-3-phenylpropanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate, ... | | Authors: | Re, R.N, Noel, J.P, Burkart, M.D. | | Deposit date: | 2024-06-02 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Elucidating the Iterative Elongation Mechanism in a Type III Polyketide Synthase.
J.Am.Chem.Soc., 147, 2025
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9C3X
 | | Crystal structure of biphenyl synthase from Malus domestica complexed with triketide-CoA mimetic | | Descriptor: | (3R)-butane-1,3-diol, BIS3 biphenyl synthase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate | | Authors: | Re, R.N, Noel, J.P, Burkart, M.D. | | Deposit date: | 2024-06-02 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Elucidating the Iterative Elongation Mechanism in a Type III Polyketide Synthase.
J.Am.Chem.Soc., 147, 2025
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9C3Y
 | | Crystal structure of biphenyl synthase from Malus domestica complexed with tetraketide-CoA mimetic | | Descriptor: | (3R)-butane-1,3-diol, BIS3 biphenyl synthase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate | | Authors: | Re, R.N, Noel, J.P, Burkart, M.D. | | Deposit date: | 2024-06-02 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Elucidating the Iterative Elongation Mechanism in a Type III Polyketide Synthase.
J.Am.Chem.Soc., 147, 2025
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8SMS
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | | Authors: | Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D. | | Deposit date: | 2023-04-26 | | Release date: | 2023-09-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Masked cerulenin enables a dual-site selective protein crosslink.
Chem Sci, 14, 2023
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4QJK
 | | Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT | | Descriptor: | COENZYME A, Phosphopantetheinyl transferase PptT, SULFATE ION | | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
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4QJL
 | | Crystal structure of M. ulcerans phosphopantetheinyl transferase MuPPT | | Descriptor: | COENZYME A, MAGNESIUM ION, Phosphopantetheinyl transferase, ... | | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
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7L4L
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ... | | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | | Deposit date: | 2020-12-19 | | Release date: | 2021-09-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
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7L4E
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, ... | | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | | Deposit date: | 2020-12-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
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8DLE
 | | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | | Descriptor: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | | Authors: | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes.
J.Am.Chem.Soc., 146, 2024
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7SQI
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP | | Descriptor: | Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
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