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8CN4
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BU of 8cn4 by Molmil
Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R.
登録日2023-02-21
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNE
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BU of 8cne by Molmil
Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-02-22
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNG
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BU of 8cng by Molmil
Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Georgiou, C, Brenk, R.
登録日2023-02-22
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN5
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BU of 8cn5 by Molmil
Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Georgiou, C, Brenk, R.
登録日2023-02-22
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN7
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BU of 8cn7 by Molmil
Pa.FabF-C164Q in complex with platencin
分子名称: 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
著者Georgiou, C, Brenk, R.
登録日2023-02-22
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8PD1
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BU of 8pd1 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
登録日2023-06-11
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8PFZ
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BU of 8pfz by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid
分子名称: (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ...
著者Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
登録日2023-06-17
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8PJ0
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BU of 8pj0 by Molmil
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
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-06-22
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8PSJ
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BU of 8psj by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi rotated state with ACP at the acetyl transferase domain (FASx sample)
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSA
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BU of 8psa by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASam sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSG
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BU of 8psg by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the acetyl transferase domain (FASx sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PRW
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BU of 8prw by Molmil
Cryo-EM structure of the yeast fatty acid synthase at 1.9 angstrom resolution
分子名称: 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, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-12
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSP
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BU of 8psp by Molmil
Asymmetric unit of the yeast fatty acid synthase in rotated state with ACP at the acetyl transferase domain (FASx sample)
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS9
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BU of 8ps9 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASam sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSM
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BU of 8psm by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the malonyl/palmitoyl transferase domain (FASx sample)
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PRV
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BU of 8prv by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample)
分子名称: COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-12
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSL
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BU of 8psl by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASx sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS1
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BU of 8ps1 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASamn sample)
分子名称: COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS8
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BU of 8ps8 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the enoyl reductase domain (FASam sample)
分子名称: Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-26
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSF
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BU of 8psf by Molmil
Asymmetric unit of the yeast fatty acid synthase in non-rotated state with ACP at the acetyl transferase domain (FASx sample)
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS2
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BU of 8ps2 by Molmil
Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSK
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BU of 8psk by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASx sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8QM1
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BU of 8qm1 by Molmil
wild type Pa.FabF in complex cerulenin
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-09-21
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8QER
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BU of 8qer by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid
分子名称: (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
著者Yadrykhins'ky, V, Brenk, R, Georgiou, C.
登録日2023-09-01
公開日2024-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8R1V
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BU of 8r1v by Molmil
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
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Yadrykhinsky, V, Brenk, R.
登録日2023-11-02
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献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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件を2024-05-15に公開中

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