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
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8CN5
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8COV
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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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8CNE
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8CN8
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8CNG
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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
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8CG6
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8CUY
 | | ACP1-KS-AT domains of mycobacterial Pks13 | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8CV0
 | | KS-AT domains of mycobacterial Pks13 with outward AT conformation | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8CUZ
 | | KS-AT domains of mycobacterial Pks13 with inward AT conformation | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8CV1
 | | ACP1-KS-AT domains of mycobacterial Pks13 | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8BY8
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8CN7
 | | Pa.FabF-C164Q in complex with platencin | | Descriptor: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE | | Authors: | Georgiou, C, Brenk, R. | | Deposit date: | 2023-02-22 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 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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8COU
 | | Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid | | Descriptor: | 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiou, C, Brenk, R. | | Deposit date: | 2023-02-28 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 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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8PFZ
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid | | Descriptor: | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ... | | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | | Deposit date: | 2023-06-17 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 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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8PD1
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | | Deposit date: | 2023-06-11 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.87 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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8R1V
 | | Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Yadrykhinsky, V, Brenk, R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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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 | | Last modified: | 2024-05-08 | | 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, 15, 2024
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8OII
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8PJ0
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-06-22 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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8QM1
 | | wild type Pa.FabF in complex cerulenin | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-09-21 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 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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8QER
 | | Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid | | Descriptor: | (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | Authors: | Yadrykhins'ky, V, Brenk, R, Georgiou, C. | | Deposit date: | 2023-09-01 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 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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8PSL
 | | Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASx sample) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta | | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | Deposit date: | 2023-07-13 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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