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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
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
5SOE	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-methoxy-1H-indole, 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 (1.59 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNX	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1267881672 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-L-prolinamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.99 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNK	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434941 Descriptor: (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-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 (1.98 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
5SNV	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z295848548 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine, 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 (1.9 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNS	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1354416068 Descriptor: 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one, 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 (2.16 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNE	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z192955056 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 (1.96 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN9	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57258487 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.58 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
5SNY	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1827602749 Descriptor: (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name), 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 (1.97 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNQ	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1891773476 Descriptor: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine, 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 (2.16 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
8EE0	KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment 1B2 Descriptor: 1B2 antibody heavy chain, 1B2 antibody light chain, 6-deoxyerythronolide B synthase Authors: Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C. Deposit date: 2022-09-06 Release date: 2023-05-31 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase. Biochemistry, 62, 2023
8EE1	KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment AA5 Descriptor: 6-deoxyerythronolide B synthase, AA5 antibody heavy chain, AA5 antibody light chain Authors: Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C. Deposit date: 2022-09-06 Release date: 2023-05-31 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase. Biochemistry, 62, 2023
8BY8	The cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS-MAT) Descriptor: Non-reducing polyketide synthase CTB1 Authors: Munoz-Hernandez, H, Maier, T. Deposit date: 2022-12-12 Release date: 2024-01-10 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: The cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS-MAT) at 2.5 Angstroms resolution To Be Published
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
8I4Z	CalA3 with hydrolysis product Descriptor: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic 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 (3.97 Å) Cite: C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
8CG5	The ACP crosslinked to the KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT) Descriptor: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide Authors: Munoz-Hernandez, H, Tittes, Y.U, Maier, T. Deposit date: 2023-02-03 Release date: 2024-02-21 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: CryoEM structure of ACP crosslinked to KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT) at 2.7 Angstroms resolution To Be Published
8CG6	The ACP crosslinked to the SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) Descriptor: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide Authors: Munoz-Hernandez, H, Tittes, Y.U, Maier, T. Deposit date: 2023-02-03 Release date: 2024-02-21 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: CryoEM structure of ACP crosslinked to SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) at 3.4 Angstroms resolution To Be Published
8CG4	The organise full-length structure of the fungal non-reducing polyketide synthase (NR-PKS) PksA Descriptor: Norsolorinic acid synthase Authors: Munoz-Hernandez, H, Maier, T. Deposit date: 2023-02-03 Release date: 2024-02-21 Method: ELECTRON MICROSCOPY (2.6 Å) Cite: CryoEM structure of the Aspergilus sp. fungal non-reducing polyketide synthase (NR-PKS) PksA at 2.6 Angstroms resolution To Be Published
8G4U	Final ketosynthase+acyltransferase of the erythromycin modular polyketide synthase Descriptor: EryAIII Authors: Keatinge-Clay, A.T. Deposit date: 2023-02-10 Release date: 2023-03-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal structures reveal the framework of cis -acyltransferase modular polyketide synthases. Biorxiv, 2023
8CJH	Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin Descriptor: Colibactin hybrid non-ribosomal peptide synthetase/type I polyketide synthase ClbK Authors: Bonhomme, S, Dessen, A, Macheboeuf, P. Deposit date: 2023-02-13 Release date: 2023-04-26 Last modified: 2023-06-14 Method: X-RAY DIFFRACTION (2.982 Å) Cite: Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin. Structure, 31, 2023
8CN2	Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide Authors: Georgiou, C, Brenk, R. Deposit date: 2023-02-21 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.88 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CN4	Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ... Authors: Georgiou, C, Brenk, R. Deposit date: 2023-02-21 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.67 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023

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