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PDB: 244 件
7QA3
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BU of 7qa3 by Molmil
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
分子名称: Multiple virulence factor regulator MvfR, N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-15
公開日2022-11-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献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
分子名称: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
6YHL
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BU of 6yhl by Molmil
Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704
分子名称: Cytotoxic necrotizing factor
著者Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
登録日2020-03-30
公開日2020-12-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.277 Å)
主引用文献Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
5OE3
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BU of 5oe3 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1)
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, ACETATE ION, ...
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
6YHN
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Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis
分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ...
著者Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
登録日2020-03-30
公開日2020-12-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6YHM
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BU of 6yhm by Molmil
Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis
分子名称: Cytotoxic necrotizing factor, MAGNESIUM ION
著者Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
登録日2020-03-30
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
4X8D
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BU of 4x8d by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine
分子名称: CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ...
著者Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
登録日2014-12-10
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4X8E
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BU of 4x8e by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine
分子名称: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
登録日2014-12-10
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
分子名称: (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium, Amidohydrolase EgtC, GLYCEROL
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2015-04-21
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
5OE6
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BU of 5oe6 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with 6-fluoroanthraniloyl-AMP (crystal form 1)
分子名称: 6-fluoroanthraniloyl-AMP, Anthranilate--CoA ligase, TRIETHYLENE GLYCOL
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
6TUM
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BU of 6tum by Molmil
Crystal structure of glutathione s-transferase PA1623 from Pseudomonas aeruginosa PACS2 complexed with tartrate
分子名称: D(-)-TARTARIC ACID, Glutathione S-transferase, L(+)-TARTARIC ACID
著者Feiler, C.G, Blankenfeldt, W.
登録日2020-01-07
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of glutathione s-transferase PA1623 from Pseudomonas aeruginosa PACS2 complexed with tartrate
To Be Published
6RTD
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BU of 6rtd by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
分子名称: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ...
著者Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
登録日2019-05-23
公開日2019-06-19
最終更新日2019-08-28
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
5JGJ
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BU of 5jgj by Molmil
Crystal structure of GtmA
分子名称: UbiE/COQ5 family methyltransferase, putative
著者Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S.
登録日2016-04-20
公開日2017-03-01
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
8CIX
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BU of 8cix by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin.
分子名称: ACETATE ION, Beta sliding clamp, CALCIUM ION, ...
著者Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
登録日2023-02-11
公開日2023-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
5OE5
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BU of 5oe5 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 3)
分子名称: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase, DI(HYDROXYETHYL)ETHER
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 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
分子名称: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
著者Schmelz, S, Blankenfeldt, W.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
8A24
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BU of 8a24 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - iodide soak
分子名称: IODIDE ION, Lysophospholipase A
著者Diwo, M.G, Blankenfeldt, W.
登録日2022-06-02
公開日2023-06-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
8A25
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BU of 8a25 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment
分子名称: (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ...
著者Diwo, M.G, Blankenfeldt, W.
登録日2022-06-02
公開日2023-06-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
5OE4
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BU of 5oe4 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 2)
分子名称: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
6YHK
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BU of 6yhk by Molmil
Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis
分子名称: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION
著者Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
登録日2020-03-30
公開日2020-12-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
7OZQ
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BU of 7ozq by Molmil
Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop
分子名称: 50S ribosomal protein L7Ae, ACETATE ION, CALCIUM ION, ...
著者Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W.
登録日2021-06-28
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites.
Sci Rep, 11, 2021
5JGK
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BU of 5jgk by Molmil
Crystal structure of GtmA in complex with SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, UbiE/COQ5 family methyltransferase, ...
著者Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Dolye, S.
登録日2016-04-20
公開日2017-03-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
2Q0J
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BU of 2q0j by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
分子名称: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
著者Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
登録日2007-05-22
公開日2008-06-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
3HXF
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BU of 3hxf by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 32)
分子名称: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
著者Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
登録日2009-06-20
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
3HXC
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BU of 3hxc by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 8)
分子名称: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
著者Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
登録日2009-06-20
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009

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件を2024-07-31に公開中

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