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PDB: 383 results

7QY3
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BU of 7qy3 by Molmil
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
7QA0
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BU of 7qa0 by Molmil
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
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
7QAV
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BU of 7qav by Molmil
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
3JUM
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BU of 3jum by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)benzoic acid
Descriptor: 5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUQ
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BU of 3juq by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 cocrystallized with 2 mM racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUN
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BU of 3jun by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in simultaneous complex with racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUO
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BU of 3juo by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUP
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BU of 3jup by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (S)-5-bromo-2-(piperidin-3-ylamino)benzoic acid
Descriptor: 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
8BRT
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BU of 8brt by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRS
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BU of 8brs by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact.
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRQ
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BU of 8brq by Molmil
Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRR
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BU of 8brr by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
6ZTH
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BU of 6zth by Molmil
Phospholipase PlaB from Legionella pneumophila
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PlaB phospholipase
Authors:Diwo, M.G, Flieger, A, Blankenfeldt, W.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZTI
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BU of 6zti by Molmil
Phospholipase PlaB from Legionella pneumophila in complex with thio-NAD
Descriptor: GLYCEROL, PlaB phospholipase, THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Diwo, M.G, Flieger, A, Blankenfeldt, W.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
8BTJ
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BU of 8btj by Molmil
Murine cytomegalovirus protein M35
Descriptor: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
Authors:Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
Deposit date:2022-11-29
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The Cytomegalovirus M35 Protein Directly Binds to the Interferon-beta Enhancer and Modulates Transcription of Ifnb1 and Other IRF3-Driven Genes.
J.Virol., 97, 2023
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
5JGJ
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BU of 5jgj by Molmil
Crystal structure of GtmA
Descriptor: UbiE/COQ5 family methyltransferase, putative
Authors:Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S.
Deposit date:2016-04-20
Release date:2017-03-01
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
6YA1
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BU of 6ya1 by Molmil
Zinc metalloprotease ProA
Descriptor: ACETATE ION, CALCIUM ION, ZINC ION, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-03-11
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
8CIZ
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BU of 8ciz by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A.
Descriptor: Beta sliding clamp, Mycoplanecin A
Authors:Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
Deposit date:2023-02-11
Release date:2023-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
8CIY
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BU of 8ciy by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin.
Descriptor: ACETATE ION, Beta sliding clamp, CALCIUM ION, ...
Authors:Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
Deposit date:2023-02-11
Release date:2023-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
8CIX
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BU of 8cix by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin.
Descriptor: ACETATE ION, Beta sliding clamp, CALCIUM ION, ...
Authors:Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
Deposit date:2023-02-11
Release date:2023-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
5JGL
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BU of 5jgl by Molmil
Crystal structure of GtmA in complex with S-Adenosylmethionine
Descriptor: S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ...
Authors:Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S.
Deposit date:2016-04-20
Release date:2017-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
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
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

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數據於2024-07-31公開中

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