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3KLO
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BU of 3klo by Molmil
Vibrio cholerae VpsT bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Transcriptional regulator VpsT
Authors:Krasteva, P.V, Navarro, V.A.S, Sondermann, H.
Deposit date:2009-11-08
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Vibrio cholerae VpsT Regulates Matrix Production and Motility by Directly Sensing Cyclic di-GMP.
Science, 327, 2010
6CBQ
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BU of 6cbq by Molmil
Crystal structure of QscR bound to agonist S3
Descriptor: (2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide, LuxR family transcriptional regulator
Authors:Churchill, M.E.A, Wysoczynski-Horita, C.L.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of agonism and antagonism of the Pseudomonas aeruginosa quorum sensing regulator QscR with non-native ligands.
Mol. Microbiol., 108, 2018
6CC0
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BU of 6cc0 by Molmil
Crystal structure of QscR bound to C12-homoserine lactone
Descriptor: LuxR family transcriptional regulator, N-[(3S)-2-oxooxolan-3-yl]dodecanamide
Authors:Churchill, M.E.A, Wysoczynski-Horita, C.L.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of agonism and antagonism of the Pseudomonas aeruginosa quorum sensing regulator QscR with non-native ligands.
Mol. Microbiol., 108, 2018
6UGL
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BU of 6ugl by Molmil
VqmA bound to DPO
Descriptor: 3,5-dimethylpyrazin-2(1H)-one, Helix-turn-helix transcriptional regulator
Authors:Paczkowski, J.E, Huang, X.
Deposit date:2019-09-26
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanism underlying autoinducer recognition in theVibrio choleraeDPO-VqmA quorum-sensing pathway.
J.Biol.Chem., 295, 2020
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
6V7X
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BU of 6v7x by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6V7W
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BU of 6v7w by Molmil
Crystal structure of LasR-Aqs1 complex from Pseudomonas aeruginosa
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
3P7N
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BU of 3p7n by Molmil
Crystal structure of light activated transcription factor El222 from Erythrobacter litoralis
Descriptor: FLAVIN MONONUCLEOTIDE, Sensor histidine kinase
Authors:McNulty, R, Luecke, H.
Deposit date:2010-10-12
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of photosensitivity in a bacterial light-oxygen-voltage/helix-turn-helix (LOV-HTH) DNA-binding protein.
Proc.Natl.Acad.Sci.USA, 108, 2011
8DQ1
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BU of 8dq1 by Molmil
Quorum-sensing receptor RhlR bound to PqsE
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, DNA (5'-D(*AP*CP*CP*TP*GP*CP*CP*AP*GP*AP*CP*TP*GP*CP*AP*CP*AP*G)-3'), ...
Authors:Paczkowski, J.E, Fromme, J.C, Feathers, J.R.
Deposit date:2022-07-18
Release date:2022-12-07
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation.
Structure, 30, 2022
8DQ0
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BU of 8dq0 by Molmil
Quorum-sensing receptor RhlR bound to PqsE
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, RhlR protein
Authors:Paczkowski, J.E, Fromme, J.C, Feathers, J.R.
Deposit date:2022-07-18
Release date:2022-12-07
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation.
Structure, 30, 2022
3QP5
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BU of 3qp5 by Molmil
Crystal structure of CviR bound to antagonist chlorolactone (CL)
Descriptor: 4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, CviR transcriptional regulator
Authors:Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.249 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
3QP6
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BU of 3qp6 by Molmil
Crystal structure of CviR (Chromobacterium violaceum 12472) bound to C6-HSL
Descriptor: CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
8A5R
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BU of 8a5r by Molmil
Crystal structure of light-activated DNA-binding protein EL222 from Erythrobacter litoralis crystallized and measured in dark.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Koval, T, Chaudhari, A, Fuertes, G, Andersson, I, Dohnalek, J.
Deposit date:2022-06-15
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:EL222 from Erythrobacter litoralis.
To Be Published
8A5S
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BU of 8a5s by Molmil
Crystal structure of light-activated DNA-binding protein EL222 from Erythrobacter litoralis crystallized in dark, measured illuminated.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Koval, T, Chaudhari, A, Fuertes, G, Andersson, I, Dohnalek, J.
Deposit date:2022-06-15
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:EL222 from Erythrobacter litoralis.
To Be Published
4LFU
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BU of 4lfu by Molmil
Crystal structure of Escherichia coli SdiA in the space group C2
Descriptor: CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL
Authors:Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K.
Deposit date:2013-06-27
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor
Acta Crystallogr.,Sect.D, 70, 2014
4Y15
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BU of 4y15 by Molmil
SdiA in complex with 3-oxo-C6-homoserine lactone
Descriptor: 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide, SULFATE ION, Transcriptional regulator of ftsQAZ gene cluster
Authors:Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
Deposit date:2015-02-06
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.835 Å)
Cite:Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
4Y13
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BU of 4y13 by Molmil
SdiA in complex with octanoyl-rac-glycerol
Descriptor: (2S)-2,3-dihydroxypropyl octanoate, GLYCEROL, SULFATE ION, ...
Authors:Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
Deposit date:2015-02-06
Release date:2015-04-08
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
4Y17
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BU of 4y17 by Molmil
SdiA in complex with 3-oxo-C8-homoserine lactone
Descriptor: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, Transcriptional regulator of ftsQAZ gene cluster
Authors:Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
Deposit date:2015-02-06
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
7PK5
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BU of 7pk5 by Molmil
Phosphodiesterase PdeL (EAL domain of crystals comprising full-length protein)
Descriptor: Cyclic di-GMP phosphodiesterase PdeL
Authors:Fadel, J, Schirmer, T.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Phosphodiesterase PdeL (EAL domain of crystals comprising full-length protein)
To Be Published
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
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
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
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
6KJU
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BU of 6kju by Molmil
Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors
Descriptor: 3,5-dimethylpyrazin-2-ol, Helix-turn-helix transcriptional regulator
Authors:Wu, H, Li, M.J, Guo, H.J, Zhou, H, Wang, W.W, Xu, Q, Xu, C.Y, Yu, F, He, J.H.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Large conformation shifts of Vibrio cholerae VqmA dimer in the absence of target DNA provide insight into DNA-binding mechanisms of LuxR-type receptors.
Biochem.Biophys.Res.Commun., 520, 2019

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