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3U0F	The structure of Beta-ketoacyl synthase from Brucella melitensis bound to the fragment 7-hydroxycoumarin Descriptor: 7-hydroxy-2H-chromen-2-one, Beta-ketoacyl synthase, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-09-28 Release date: 2011-10-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
3MQD	Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol Descriptor: (5-thiophen-2-ylisoxazol-3-yl)methanol, Beta-ketoacyl synthase, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-04-28 Release date: 2010-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
1OX0	The crystal structure of beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus pneumoniae Descriptor: Beta ketoacyl-acyl carrier protein synthase, MAGNESIUM ION Authors: Price, A.C, Rock, C.O, White, S.W. Deposit date: 2003-03-31 Release date: 2003-04-22 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The 1.3-Angstrom-Resolution Crystal Structure of beta-Ketoacyl-Acyl Carrier Protein Synthase II from Streptococcus pneumoniae. J.Bacteriol., 185, 2003
7PPS	apo FabB from Pseudomonas aeruginosa with single point mutation C161A Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... Authors: Georgiou, C, Brenk, R, Yadrykhinsky, V. Deposit date: 2021-09-15 Release date: 2021-10-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of Pseudomonas aeruginosa FabB C161A, a template for structure-based design for new antibiotics. F1000Res, 10, 2021
4CW4	Crystal structure of the noncanonical ketosynthase FabY from P. aeruginosa Descriptor: BETA-KETOACYL SYNTHASE, CHLORIDE ION, SULFATE ION Authors: Bukhari, H.S.T, Jakob, R.P, Maier, T. Deposit date: 2014-04-01 Release date: 2014-12-17 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.349 Å) Cite: Evolutionary Origins of the Multienzyme Architecture of Giant Fungal Fatty Acid Synthase. Structure, 22, 2014
5SXO	1.35 angstrom resolution crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Listeria monocytogenes Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2 Authors: Soares da Costa, T.P, Nanson, J.D, Forwood, J.K. Deposit date: 2016-08-09 Release date: 2016-11-02 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.35 Å) Cite: 1.35 angstrom resolution crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Listeria monocytogenes To Be Published
2VBA	beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor Descriptor: 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1 Authors: Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. Deposit date: 2007-09-06 Release date: 2007-12-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis. Acta Crystallogr.,Sect.D, 63, 2007
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
5SO3	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.49 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SOF	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
2VB9	beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION Authors: Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. Deposit date: 2007-09-06 Release date: 2007-12-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis. Acta Crystallogr.,Sect.D, 63, 2007
8R0I	Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide Descriptor: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... Authors: Yadrykhinsky, V, Brenk, R. Deposit date: 2023-10-31 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection Rsc Med Chem, 2024
5SOC	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.51 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO6	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z26968795 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-chloro-2,5-dimethoxyphenyl)acetamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.51 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO9	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1622626423 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.51 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN7	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.52 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
2VB8	beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound inhibitor thiolactomycin Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION, THIOLACTOMYCIN Authors: Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. Deposit date: 2007-09-06 Release date: 2007-12-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis. Acta Crystallogr.,Sect.D, 63, 2007
6Y2I	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
1E5M	Beta ketoacyl acyl carrier protein synthase II (KASII) from Synechocystis sp. Descriptor: BETA KETOACYL ACYL CARRIER PROTEIN SYNTHASE II Authors: Moche, M, Edwards, P, Dehesh, K, Lindqvist, Y. Deposit date: 2000-07-27 Release date: 2001-01-16 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.54 Å) Cite: The Crystal Structure of Beta-Ketoacyl-Acyl Carrier Protein Synthase II from Synechocystis Sp. At 1.54 A Resolution and its Relationship to Other Condensing Enzymes J.Mol.Biol., 305, 2001
5SOA	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358 Descriptor: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.54 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
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: 2023-10-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
4LS6	Crystal structure of beta-ketoacyl-ACP synthase II (FabF) I108F mutant from Bacillus subtilis Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, GLYCEROL, ... Authors: Trajtenberg, F, Larrieux, N, Buschiazzo, A. Deposit date: 2013-07-22 Release date: 2014-04-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Structural insights into bacterial resistance to cerulenin. Febs J., 281, 2014
8CNE	Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Georgiou, C, Brenk, R, Espeland, L.O. Deposit date: 2023-02-22 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.57 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
5SO7	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z219104216 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.57 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN5	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434897 Descriptor: 1-(2-phenylethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.57 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023

 

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