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PDB: 252 件

7R3F
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BU of 7r3f by Molmil
Monomeric PqsE mutant E187R
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3H
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PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
分子名称: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3E
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Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3G
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BU of 7r3g by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with the synthetic antagonist mBTL
分子名称: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, PROSS optimized variant of RhlR with 61 mutations
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
3B4O
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BU of 3b4o by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, apo form
分子名称: ACETATE ION, Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
登録日2007-10-24
公開日2008-12-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
3B4P
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BU of 3b4p by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, complex with 2-(cyclohexylamino)benzoic acid
分子名称: 2-(cyclohexylamino)benzoic acid, ACETATE ION, AZIDE ION, ...
著者Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
登録日2007-10-24
公開日2008-12-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
3CNM
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BU of 3cnm by Molmil
Crystal Structure of Phenazine Biosynthesis Protein PhzA/B from Burkholderia cepacia R18194, DHHA complex
分子名称: (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, ACETATE ION, Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Blankenfeldt, W.
登録日2008-03-26
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
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
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献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.
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BTJ
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BU of 8btj by Molmil
Murine cytomegalovirus protein M35
分子名称: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
著者Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
登録日2022-11-29
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
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2024-11-13
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
4X8B
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BU of 4x8b by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form
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2024-11-20
実験手法X-RAY DIFFRACTION (1.7 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2024-11-20
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
8CIY
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BU of 8ciy by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-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 (1.54 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
8CIZ
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BU of 8ciz by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A.
分子名称: Beta sliding clamp, Mycoplanecin A
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 (2.27 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
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
1KD0
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BU of 1kd0 by Molmil
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure.
分子名称: 1,2-ETHANEDIOL, beta-methylaspartase
著者Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H.
登録日2001-11-12
公開日2001-12-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
1KCZ
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BU of 1kcz by Molmil
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex.
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, beta-methylaspartase
著者Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H.
登録日2001-11-12
公開日2001-12-19
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
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
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
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-01-28
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
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

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件を2025-04-02に公開中

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