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PDB: 68 results
5SO3
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BU of 5so3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOF
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BU of 5sof by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
8R0I
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BU of 8r0i by Molmil
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
5SO9
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BU of 5so9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1622626423
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO6
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BU of 5so6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z26968795
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-chloro-2,5-dimethoxyphenyl)acetamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOA
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BU of 5soa by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
Descriptor: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:PanDDA analysis group deposition
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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
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
Descriptor: 1-(2-phenylethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO7
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BU of 5so7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z219104216
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SN9
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BU of 5sn9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57258487
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO4
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BU of 5so4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93A
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOE
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BU of 5soe by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-methoxy-1H-indole, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOB
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BU of 5sob by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2204875953
Descriptor: (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOH
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BU of 5soh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
Descriptor: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOG
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BU of 5sog by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57328997
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOD
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BU of 5sod by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1730522163
Descriptor: 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO8
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BU of 5so8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
8CN4
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BU of 8cn4 by Molmil
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
4JPF
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BU of 4jpf by Molmil
Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand
Descriptor: 3-(benzoylamino)-2-hydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, MAGNESIUM ION, ...
Authors:Baum, B, Brenk, R, Jaenicke, E.
Deposit date:2013-03-19
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structures of Pseudomonas aeruginosa beta-ketoacyl-(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 F Struct Biol Commun, 71, 2015
5SNB
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BU of 5snb by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172
Descriptor: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
8COU
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BU of 8cou by Molmil
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
5SO5
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BU of 5so5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023

 

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