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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
8AID
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BU of 8aid by Molmil
Crystal structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PA4183
Authors:Popp, M.A, Blankenfeldt, W.
Deposit date:2022-07-26
Release date:2022-11-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
To Be Published
8B4A
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BU of 8b4a by Molmil
Nativ complex of PqsE and RhlR with autoinducer C4-HSL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ...
Authors:Borgert, S.R, Blankenfeldt, W.
Deposit date:2022-09-20
Release date:2022-12-14
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
5K7H
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BU of 5k7h by Molmil
Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A
Descriptor: CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ...
Authors:Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-26
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
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
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
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
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:2021-06-16
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
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
Descriptor: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
Authors:Witzgall, F, Xu, N, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q7V
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BU of 6q7v by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11
Descriptor: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
4PIN
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BU of 4pin by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine
Descriptor: Histidine-specific methyltransferase EgtD, N,N-dimethyl-L-histidine, PHOSPHATE ION
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
4PIO
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BU of 4pio by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine and SAH
Descriptor: CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ...
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
4PIP
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BU of 4pip by Molmil
Engineered EgtD variant EgtD-M252V,E282A in complex with tryptophan and SAH
Descriptor: CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ...
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
4PIM
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BU of 4pim by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD, apo form
Descriptor: ACETATE ION, Histidine-specific methyltransferase EgtD
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
1KD0
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BU of 1kd0 by Molmil
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure.
Descriptor: 1,2-ETHANEDIOL, beta-methylaspartase
Authors:Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H.
Deposit date:2001-11-12
Release date:2001-12-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
1KCZ
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BU of 1kcz by Molmil
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex.
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, beta-methylaspartase
Authors:Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H.
Deposit date:2001-11-12
Release date:2001-12-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
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
7QY3
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BU of 7qy3 by Molmil
Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE
Descriptor: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), Putative oxidoreductase, SULFATE ION
Authors:Henke, S, Blankenfeldt, W, Schallmey, A.
Deposit date:2022-01-27
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering
Chemcatchem, 2022

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