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PDB: 65 件
9GQV
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BU of 9gqv by Molmil
Pseudomonas aeruginosa FabF C164A in complex with N-((1-((2-hydroxy-4-methylpentanamido)methyl)cyclobutyl)methyl)-1H-pyrazole-3-carboxamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Yadrykhins'ky, V, Brenk, R.
登録日2024-09-09
公開日2025-05-07
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
9I76
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BU of 9i76 by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carboxamido)butanoic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, DIMETHYL SULFOXIDE, ...
著者Yadrykhins'ky, V, Brenk, R.
登録日2025-01-31
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
9I7K
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BU of 9i7k by Molmil
Pseudomonas aeruginosa FabF C164A in complex with N-(3-(2-(1H-pyrrol-1-yl)propanamido)-2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Yadrykhinsky, V, Brenk, R.
登録日2025-01-31
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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2025-05-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
8COU
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BU of 8cou by Molmil
Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid
分子名称: 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R.
登録日2023-02-28
公開日2024-01-10
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
8COV
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BU of 8cov by Molmil
Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-02-28
公開日2024-01-10
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
8CN8
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BU of 8cn8 by Molmil
apo Pseudomonas aeruginosa FabF C164A mutant
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-02-22
公開日2024-01-10
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
8CN2
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BU of 8cn2 by Molmil
Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
著者Georgiou, C, Brenk, R.
登録日2023-02-21
公開日2024-01-10
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SN7
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BU of 5sn7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SNL
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BU of 5snl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SNH
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BU of 5snh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(4-fluorophenyl)piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SNT
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BU of 5snt by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SOC
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BU of 5soc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SO2
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BU of 5so2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
分子名称: 2-methoxy-N-phenylacetamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SN5
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BU of 5sn5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434897
分子名称: 1-(2-phenylethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SNM
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BU of 5snm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z135439900
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SNF
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BU of 5snf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025

 

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