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3SK2
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BU of 3sk2 by Molmil
Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087 in complex with griseoluteic acid
Descriptor: 6-formyl-9-methoxyphenazine-1-carboxylic acid, EhpR
Authors:Blankenfeldt, W, Yu, S.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
3SK1
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BU of 3sk1 by Molmil
Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087, apo form
Descriptor: EhpR
Authors:Blankenfeldt, W, Yu, S.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
4WB0
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BU of 4wb0 by Molmil
Crystal structure of the broad specificity aminotransferase from Leishmania mexicana
Descriptor: Broad specificity aminotransferase, CACODYLATE ION
Authors:Wen, J, Nowicki, C, Blankenfeldt, W.
Deposit date:2014-09-02
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for the relaxed substrate selectivity of Leishmania mexicana broad specificity aminotransferase.
Mol.Biochem.Parasitol., 202, 2015
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
6ZTH
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BU of 6zth by Molmil
Phospholipase PlaB from Legionella pneumophila
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PlaB phospholipase
Authors:Diwo, M.G, Flieger, A, Blankenfeldt, W.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZTI
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BU of 6zti by Molmil
Phospholipase PlaB from Legionella pneumophila in complex with thio-NAD
Descriptor: GLYCEROL, PlaB phospholipase, THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Diwo, M.G, Flieger, A, Blankenfeldt, W.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
4X8D
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BU of 4x8d by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine
Descriptor: CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4X8B
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BU of 4x8b by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4X8E
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BU of 4x8e by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
2Q0I
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BU of 2q0i by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
2Q0J
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BU of 2q0j by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
3B4O
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BU of 3b4o by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, apo form
Descriptor: ACETATE ION, Phenazine biosynthesis protein A/B
Authors:Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2007-10-24
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
3B4P
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BU of 3b4p by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, complex with 2-(cyclohexylamino)benzoic acid
Descriptor: 2-(cyclohexylamino)benzoic acid, ACETATE ION, AZIDE ION, ...
Authors:Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2007-10-24
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
5OE5
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BU of 5oe5 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 3)
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase, DI(HYDROXYETHYL)ETHER
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
5OE6
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BU of 5oe6 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with 6-fluoroanthraniloyl-AMP (crystal form 1)
Descriptor: 6-fluoroanthraniloyl-AMP, Anthranilate--CoA ligase, TRIETHYLENE GLYCOL
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
5OE3
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BU of 5oe3 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, ACETATE ION, ...
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
5OE4
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BU of 5oe4 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 2)
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
7R3F
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BU of 7r3f by Molmil
Monomeric PqsE mutant E187R
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3G
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BU of 7r3g by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3I
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BU of 7r3i by Molmil
PROSS optimitzed variant of RhlR (61 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, PROSS optimized variant of RhlR with 61 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3H
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BU of 7r3h by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
Descriptor: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3J
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BU of 7r3j by Molmil
Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3E
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BU of 7r3e by Molmil
Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7P4U
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BU of 7p4u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Descriptor: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-07-13
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
6YHL
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BU of 6yhl by Molmil
Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704
Descriptor: Cytotoxic necrotizing factor
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.277 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021

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