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1G68
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BU of 1g68 by Molmil
PSE-4 CARBENICILLINASE, WILD TYPE
Descriptor: BETA-LACTAMASE PSE-4, SULFATE ION
Authors:Lim, D, Sanschagrin, F, Passmore, L, De Castro, L, Levesque, R.C, Strynadka, N.C.J.
Deposit date:2000-11-03
Release date:2001-02-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies.
Biochemistry, 40, 2001
1G6A
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BU of 1g6a by Molmil
PSE-4 CARBENICILLINASE, R234K MUTANT
Descriptor: BETA-LACTAMASE PSE-4, SULFATE ION
Authors:Lim, D, Sanschagrin, F, Passmore, L, De Castro, L, Levesque, R.C, Strynadka, N.C.J.
Deposit date:2000-11-03
Release date:2001-02-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies.
Biochemistry, 40, 2001
6UR0
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BU of 6ur0 by Molmil
Crystal structure of ChoE D285N mutant acyl-enzyme
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, GLYCEROL
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
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
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
6UQV
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BU of 6uqv by Molmil
Crystal structure of ChoE, a bacterial acetylcholinesterase from Pseudomonas aeruginosa
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BUTANOIC ACID, CHLORIDE ION, ...
Authors:Shi, R, Pham, V.D, To, T.A.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQX
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BU of 6uqx by Molmil
Crystal structure of ChoE in complex with propionylthiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, IODIDE ION, ...
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQW
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BU of 6uqw by Molmil
Crystal structure of ChoE in complex with acetate and thiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, ChoE, ...
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UR1
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BU of 6ur1 by Molmil
Crystal structure of ChoE S38A mutant in complex with acetate and acetylthiocholine
Descriptor: ACETATE ION, ACETYLTHIOCHOLINE, ChoE, ...
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQZ
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BU of 6uqz by Molmil
Crystal structure of ChoE D285N mutant in complex with acetate and thiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, ChoE
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQY
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BU of 6uqy by Molmil
Crystal structure of ChoE H288N mutant in complex with acetylthiocholine
Descriptor: ACETYLTHIOCHOLINE, ChoE, GLYCEROL
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
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

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