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PDB: 244 results
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
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
6TP9
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BU of 6tp9 by Molmil
c-type cytochrome NirC
Descriptor: Cytochrome c55X, HEME C
Authors:Kluenemann, T, Henke, S, Blankenfeldt, W.
Deposit date:2019-12-12
Release date:2020-04-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The crystal structure of the heme d1biosynthesis-associated small c-type cytochrome NirC reveals mixed oligomeric states in crystallo.
Acta Crystallogr D Struct Biol, 76, 2020
7QAV
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BU of 7qav by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-cyclopropylphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Descriptor: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
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
3DZL
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BU of 3dzl by Molmil
Crystal structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-3-oxocyclohexanecarboxylic acid
Descriptor: (1R)-3-oxocyclohexanecarboxylic acid, Phenazine biosynthesis protein A/B
Authors:Ahuja, E.G, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2008-07-30
Release date:2008-12-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PhzA/B Catalyzes the Formation of the Tricycle in Phenazine Biosynthesis.
J.Am.Chem.Soc., 130, 2008
2CIZ
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BU of 2ciz by Molmil
chloroperoxidase complexed with acetate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CIW
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BU of 2ciw by Molmil
Chloroperoxidase iodide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, IODIDE ION, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CIY
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BU of 2ciy by Molmil
Chloroperoxidase complexed with cyanide and DMSO
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
Descriptor: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIQ
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BU of 5hiq by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic acid
Descriptor: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
3DST
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BU of 3dst by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with geranylgeranyl pyrophosphate
Descriptor: CALCIUM ION, GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
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
3DSV
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BU of 3dsv by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with mono-prenylated peptide Ser-Cys-Ser-Cys(GG) derivated from Rab7
Descriptor: CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
3DSU
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BU of 3dsu by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with farnesyl pyrophosphate
Descriptor: CALCIUM ION, FARNESYL DIPHOSPHATE, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
5HIS
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BU of 5his by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
Descriptor: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
3DSX
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BU of 3dsx by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with di-prenylated peptide Ser-Cys(GG)-Ser-Cys(GG) derivated from Rab7
Descriptor: CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
5HIP
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BU of 5hip by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
Descriptor: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
3DSS
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BU of 3dss by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)
Descriptor: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
Authors:Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
8AJQ
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BU of 8ajq by Molmil
Crystal structure of PA2722 from Pseudomonas aeruginosa PAO1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CENP-V/GFA domain-containing protein, GLYCEROL, ...
Authors:Popp, M.A, Blankenfeldt, W.
Deposit date:2022-07-28
Release date:2022-10-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of PA2722 from P. aeruginosa PAO1
To Be Published
2CJ1
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BU of 2cj1 by Molmil
chloroperoxidase complexed with formate (ethylene glycol cryoprotectant)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CJ0
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BU of 2cj0 by Molmil
chloroperoxidase complexed with nitrate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006

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