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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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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8CNG
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8CN5
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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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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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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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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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8PSJ
 | | Asymmetric unit of the yeast fatty acid synthase in the semi rotated state with ACP at the acetyl transferase domain (FASx sample) | | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 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 (3.4 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSA
 | | Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASam 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 (3.6 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSG
 | | Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the acetyl transferase 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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8PRW
 | | Cryo-EM structure of the yeast fatty acid synthase at 1.9 angstrom resolution | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COENZYME A, Fatty acid synthase subunit alpha, ... | | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | Deposit date: | 2023-07-12 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSP
 | | Asymmetric unit of the yeast fatty acid synthase in rotated state with ACP at the acetyl transferase domain (FASx sample) | | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 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 (2.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PS9
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASam 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 (2.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSM
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the malonyl/palmitoyl transferase domain (FASx sample) | | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 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 (3.1 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PRV
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample) | | Descriptor: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | Deposit date: | 2023-07-12 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 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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8PS1
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASamn sample) | | Descriptor: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 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 (2.8 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PS8
 | | Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the enoyl reductase domain (FASam sample) | | Descriptor: | 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: | 2023-07-26 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSF
 | | Asymmetric unit of the yeast fatty acid synthase in non-rotated state with ACP at the acetyl transferase domain (FASx sample) | | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 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 (2.8 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PS2
 | | Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam 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 (2.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSK
 | | Asymmetric unit of the yeast fatty acid synthase in the 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 (2.8 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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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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