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PDB: 68 件
5SND
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BU of 5snd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1217960891
分子名称: (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, 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2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献PanDDA analysis group deposition
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
5SNJ
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BU of 5snj by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z906021418
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-chloro-2-(propan-2-yl)pyrimidine-4-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2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
4B7V
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BU of 4b7v by Molmil
Structure of wild type Pseudomonas aeruginosa FabF (KASII)
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION
著者Lecker, L, Baum, B, Zoltner, M, Hunter, W.N.
登録日2012-08-22
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form
Acta Crystallogr.,Sect.F, 71, 2015
5SNR
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BU of 5snr by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198195770
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(carbamoylamino)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2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SN6
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BU of 5sn6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
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2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
7OC0
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BU of 7oc0 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
分子名称: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
登録日2021-04-25
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
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
5SNC
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BU of 5snc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z768399682
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2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SN8
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BU of 5sn8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z375990520
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2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
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
実験手法X-RAY DIFFRACTION (1.8 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
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
実験手法X-RAY DIFFRACTION (1.8 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
5SNW
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BU of 5snw by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNA
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BU of 5sna by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
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2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNZ
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BU of 5snz by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z44567722
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2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNO
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BU of 5sno by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z364368134
分子名称: 3-acetamido-2-methylbenzoic acid, 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2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献PanDDA analysis group deposition
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
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
実験手法X-RAY DIFFRACTION (1.88 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
5SNV
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BU of 5snv by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z295848548
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine, 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2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 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
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
5SNG
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BU of 5sng by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z383325512
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[(1H-pyrazol-4-yl)methyl]acetamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
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2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNP
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BU of 5snp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z381729066
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(propan-2-yl)-1H-pyrazole-3-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
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

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件を2024-07-31に公開中

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