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3ZYH
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BU of 3zyh by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALBG0 AT 1.5 A RESOLUTION
Descriptor: 3-(beta-D-galactopyranosylthio)propanoic acid, CALCIUM ION, PA-I galactophilic lectin
Authors:Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2011-08-23
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms
Angew.Chem.Int.Ed.Engl., 50, 2011
3ZYB
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BU of 3zyb by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 A RESOLUTION
Descriptor: CALCIUM ION, GALA-LYS-PRO-LEUNH2, P-HYDROXYBENZOIC ACID, ...
Authors:Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2011-08-19
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
3ZYF
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BU of 3zyf by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION
Descriptor: 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN
Authors:Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2011-08-22
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
2BTI
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BU of 2bti by Molmil
Structure-function studies of the RmsA CsrA post-transcriptional global regulator protein family reveals a class of RNA-binding structure
Descriptor: ACETATE ION, CARBON STORAGE REGULATOR HOMOLOG, SULFATE ION
Authors:Heeb, S, Kuehne, S.A, Bycroft, M, Crivii, S, Allen, M.D, Haas, D, Camara, M, Williams, P.
Deposit date:2005-05-31
Release date:2006-01-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Analysis of the Post-Transcriptional Regulator Rsma Reveals a Novel RNA-Binding Site.
J.Mol.Biol., 355, 2006
3DCQ
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BU of 3dcq by Molmil
LECB (PA-LII) in complex with the synthetic ligand 2G0
Descriptor: (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide, CALCIUM ION, Fucose-binding lectin PA-IIL
Authors:Johansson, E.M, Crusz, S.A, Kolomiets, E, Buts, L, Kadam, R.U, Cacciarini, M, Bartels, K.M, Diggle, S.P, Camara, M, Williams, P, Loris, R, Nativi, C, Rosenau, F, Jaeger, K.E, Darbre, T, Reymond, J.L.
Deposit date:2008-06-04
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15, 2008
8Q5L
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BU of 8q5l by Molmil
PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2f: 2-(4-(3-((6-chloro-1-isopropyl-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile
Descriptor: 2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Transcriptional regulator MvfR
Authors:Markham-Lee, Z.J, Emsley, J.
Deposit date:2023-08-09
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.
J.Med.Chem., 67, 2024
8Q5K
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BU of 8q5k by Molmil
PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile
Descriptor: 1,2-ETHANEDIOL, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Multiple virulence factor regulator MvfR
Authors:Markham-Lee, Z.J, Emsley, J.
Deposit date:2023-08-09
Release date:2024-01-17
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.
J.Med.Chem., 67, 2024
6TPR
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BU of 6tpr by Molmil
PqsR (MvfR) bound to inhibitory compound 40
Descriptor: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide, Transcriptional regulator MvfR
Authors:Richardson, W.K, Emsley, J.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm GrownPseudomonas aeruginosa.
Front Chem, 8, 2020
4JVD
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BU of 4jvd by Molmil
Crystal structure of PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand NHQ
Descriptor: 2-nonylquinolin-4(1H)-one, Transcriptional regulator MvfR
Authors:Ilangovan, A, Emsley, J, Williams, P.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
4JVI
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BU of 4jvi by Molmil
Crystal structure of PqsR co-inducer binding domain of Pseudomonas aeruginosa with inhibitor 3NH2-7Cl-C9QZN
Descriptor: 3-amino-7-chloro-2-nonylquinazolin-4(3H)-one, Transcriptional regulator MvfR
Authors:Ilangovan, A, Williams, P, Emsley, J.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
4JVC
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BU of 4jvc by Molmil
Crystal structure of PqsR co-inducer binding domain
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Transcriptional regulator MvfR
Authors:Ilangovan, A, Emsley, J, Williams, P.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
4KJI
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BU of 4kji by Molmil
Novel re-arrangement of an RsmA/cSRa family protein to create a structurally distinct new RNA-binding family member
Descriptor: RsmN, a RNA-binding protein of Regulator of Secondary Metabolism, RsmZ-2
Authors:Li, C.
Deposit date:2013-05-03
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Rearrangement in an RsmA/CsrA Ortholog of Pseudomonas aeruginosa Creates a Dimeric RNA-Binding Protein, RsmN.
Structure, 21, 2013
4KRW
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BU of 4krw by Molmil
Novel re-arrangement of an RsmA/cSRa family protein to create a structurally distinct new RNA-binding family member
Descriptor: IODIDE ION, RsmN, a RNA-binding protein of Regulator of Secondary Metabolism
Authors:Li, C.
Deposit date:2013-05-17
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Rearrangement in an RsmA/CsrA Ortholog of Pseudomonas aeruginosa Creates a Dimeric RNA-Binding Protein, RsmN.
Structure, 21, 2013
6Z17
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BU of 6z17 by Molmil
PqsR (MvfR) in complex with antagonist 6
Descriptor: 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-12
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6YZ3
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BU of 6yz3 by Molmil
PqsR (MvfR) in complex with antagonist 19
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, LysR family transcriptional regulator
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-06
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6Z07
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BU of 6z07 by Molmil
PqsR (MvfR) in complex with antagonist 12
Descriptor: 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one, GLYCEROL, Transcriptional regulator MvfR
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-07
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6Z5K
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BU of 6z5k by Molmil
PqsR (MvfR) in complex with antagonist 18
Descriptor: 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-26
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020

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