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7OC0
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BU of 7oc0 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Descriptor: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
Deposit date:2021-04-25
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
7BC4
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BU of 7bc4 by Molmil
Cryo-EM structure of fatty acid synthase (FAS) from Pichia pastoris
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Snowden, J.S, Alzahrani, J, Sherry, L, Stacey, M, Rowlands, D.J, Ranson, N.A, Stonehouse, N.J.
Deposit date:2020-12-18
Release date:2021-05-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into Pichia pastoris fatty acid synthase.
Sci Rep, 11, 2021
7BC5
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BU of 7bc5 by Molmil
Cryo-EM structure of ACP domain from Pichia pastoris fatty acid synthase (FAS)
Descriptor: Fatty acid synthase subunit alpha
Authors:Snowden, J.S, Alzahrani, J, Sherry, L, Stacey, M, Rowlands, D.J, Ranson, N.A, Stonehouse, N.J.
Deposit date:2020-12-18
Release date:2021-05-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into Pichia pastoris fatty acid synthase.
Sci Rep, 11, 2021
7CPX
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BU of 7cpx by Molmil
Lovastatin nonaketide synthase
Descriptor: Lovastatin nonaketide synthase, polyketide synthase component, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, J, Wang, Z.
Deposit date:2020-08-08
Release date:2021-01-13
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis for the biosynthesis of lovastatin.
Nat Commun, 12, 2021
7CPY
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BU of 7cpy by Molmil
Lovastatin nonaketide synthase with LovC
Descriptor: Lovastatin nonaketide synthase, enoyl reductase component lovC, polyketide synthase component, ...
Authors:Wang, J, Wang, Z.
Deposit date:2020-08-08
Release date:2021-01-13
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for the biosynthesis of lovastatin.
Nat Commun, 12, 2021
6RIW
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BU of 6riw by Molmil
PfaC Keto synthase-Chain length factor
Descriptor: MAGNESIUM ION, ORF10
Authors:Santin, O, Moncalian, G.
Deposit date:2019-04-25
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Mechanism of the Ketosynthase-Chain Length Factor Didomain from a Prototypical Polyunsaturated Fatty Acid Synthase.
Biochemistry, 59, 2020
6KOG
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BU of 6kog by Molmil
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
6WC7
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BU of 6wc7 by Molmil
Acyl carrier protein (ACP) domain bound to dehydratase (DH) domain in fungal fatty acid synthase (FAS)
Descriptor: Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Lou, J.W, Mazhab-Jafari, M.T.
Deposit date:2020-03-29
Release date:2020-06-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Steric occlusion regulates proximal interactions of acyl carrier protein domain in fungal fatty acid synthase.
Commun Biol, 3, 2020
6SMP
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BU of 6smp by Molmil
AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
Descriptor: (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-22
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SMO
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BU of 6smo by Molmil
AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
Descriptor: 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-22
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6KXE
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BU of 6kxe by Molmil
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
6KXF
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BU of 6kxf by Molmil
The ishigamide ketosynthase/chain length factor
Descriptor: ACP, Ketosynthase, [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
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 (1.98 Å)
Cite:Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
6KXD
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BU of 6kxd by Molmil
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:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
6OKG
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BU of 6okg by Molmil
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:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OLT
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BU of 6olt by Molmil
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:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKF
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BU of 6okf by Molmil
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:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKC
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BU of 6okc by Molmil
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:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6Y2I
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BU of 6y2i by Molmil
Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, ...
Authors:Chung, C.
Deposit date:2020-02-16
Release date:2020-04-08
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (1.533 Å)
Cite:Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
6Y2J
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BU of 6y2j by Molmil
Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ...
Authors:Chung, C.
Deposit date:2020-02-16
Release date:2020-04-08
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P9M
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BU of 6p9m by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6QL6
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BU of 6ql6 by Molmil
Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
Authors:Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2020-04-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
6QL9
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BU of 6ql9 by Molmil
Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom
Descriptor: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ...
Authors:Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
6QL5
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BU of 6ql5 by Molmil
Structure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 2.8 angstrom
Descriptor: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2020-04-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020

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