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PDB: 243 results

2Q0I
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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
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
7QA0
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Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 1456
Descriptor: Multiple virulence factor regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
7QAV
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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
7QA3
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Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Descriptor: Multiple virulence factor regulator MvfR, N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
7QY3
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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
4PIO
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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
4EHM
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BU of 4ehm by Molmil
RabGGTase in complex with covalently bound Psoromic acid
Descriptor: 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W.
Deposit date:2012-04-02
Release date:2012-05-30
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase
J.Am.Chem.Soc., 134, 2012
6YHL
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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
3ZHH
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BU of 3zhh by Molmil
X-ray structure of the full-length beta-lactamase from M.tuberculosis
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Feiler, C, Fisher, A.C, Marrichi, M.J, Wright, L, Schmidpeter, P.A.M, Blankenfeldt, W, Pavelka, M, DeLisa, M.P.
Deposit date:2012-12-21
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Directed Evolution of Mycobacterium Tuberculosis Beta-Lactamase Reveals Gatekeeper Residue that Regulates Antibiotic Resistance and Catalytic Efficiency.
Plos One, 8, 2013
6YHM
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Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis
Descriptor: Cytotoxic necrotizing factor, MAGNESIUM ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6YHN
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Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis
Descriptor: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, 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:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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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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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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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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
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
3C72
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BU of 3c72 by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor
Descriptor: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
Authors:Guo, Z, Wu, Y.W, Tan, K.T, Bon, R.S, Guiu-Rozas, E, Delon, C, Nguyen, U.T, Wetzel, S, Arndt, S, Goody, R.S, Blankenfeldt, W, Alexandrov, K, Waldmann, H.
Deposit date:2008-02-06
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of selective RabGGTase inhibitors and crystal structure of a RabGGTase-inhibitor complex.
Angew.Chem.Int.Ed.Engl., 47, 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
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
6YHK
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BU of 6yhk by Molmil
Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis
Descriptor: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6YIZ
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BU of 6yiz by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with triazolo-pyridine inverse agonist A
Descriptor: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
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

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