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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)
分子名称: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase, DI(HYDROXYETHYL)ETHER
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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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Crystal structure of the N-terminal domain of PqsA in complex with 6-fluoroanthraniloyl-AMP (crystal form 1)
分子名称: 6-fluoroanthraniloyl-AMP, Anthranilate--CoA ligase, TRIETHYLENE GLYCOL
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, ACETATE ION, ...
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献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)
分子名称: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献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
6ET1
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BU of 6et1 by Molmil
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 2)
分子名称: PqsB, PqsC
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ET2
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BU of 6et2 by Molmil
Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 3)
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, PqsB, PqsC
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ET0
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BU of 6et0 by Molmil
Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 1)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ESZ
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BU of 6esz by Molmil
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 1)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DI(HYDROXYETHYL)ETHER, PqsB, ...
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6ET3
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BU of 6et3 by Molmil
Crystal structure of PqsBC (C129S) mutant from Pseudomonas aeruginosa (crystal form 4)
分子名称: (R,R)-2,3-BUTANEDIOL, PqsB, PqsC, ...
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
分子名称: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
著者Witzgall, F, Xu, N, Blankenfeldt, W.
登録日2018-12-13
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献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
分子名称: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
著者Witzgall, F, Blankenfeldt, W.
登録日2018-12-13
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献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
分子名称: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
著者Witzgall, F, Blankenfeldt, W.
登録日2018-12-13
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
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
分子名称: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
分子名称: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
分子名称: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
6ETO
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BU of 6eto by Molmil
Atomic resolution structure of RNase A (data collection 5)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 2018
8B4A
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BU of 8b4a by Molmil
Nativ complex of PqsE and RhlR with autoinducer C4-HSL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ...
著者Borgert, S.R, Blankenfeldt, W.
登録日2022-09-20
公開日2022-12-14
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献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
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, PROSS optimized variant of RhlR with 61 mutations
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
分子名称: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3J
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Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ...
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3E
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Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022

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