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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
Descriptor: CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
2Q0I
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BU of 2q0i by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
2Q0J
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BU of 2q0j by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
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)
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.904 Å)
Cite: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
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)
Descriptor: 6-fluoroanthraniloyl-AMP, Anthranilate--CoA ligase, TRIETHYLENE GLYCOL
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
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)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, ACETATE ION, ...
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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
3N6O
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BU of 3n6o by Molmil
Crystal structure of the GEF and P4M domain of DrrA/SidM from Legionella pneumophila
Descriptor: SULFATE ION, guanine nucleotide exchange factor
Authors:Schoebel, S, Blankenfeldt, W, Goody, R.S, Itzen, A.
Deposit date:2010-05-26
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-affinity binding of phosphatidylinositol 4-phosphate by Legionella pneumophila DrrA.
Embo Rep., 11, 2010
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)
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase, DI(HYDROXYETHYL)ETHER
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
3B4O
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BU of 3b4o by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, apo form
Descriptor: ACETATE ION, Phenazine biosynthesis protein A/B
Authors:Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2007-10-24
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-(cyclohexylamino)benzoic acid, ACETATE ION, AZIDE ION, ...
Authors:Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
Deposit date:2007-10-24
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
3NKU
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BU of 3nku by Molmil
Crystal structure of the N-terminal domain of DrrA/SidM from Legionella pneumophila
Descriptor: DI(HYDROXYETHYL)ETHER, DrrA, TRIETHYLENE GLYCOL
Authors:Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A.
Deposit date:2010-06-21
Release date:2010-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
3NKV
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BU of 3nkv by Molmil
Crystal structure of Rab1b covalently modified with AMP at Y77
Descriptor: ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ...
Authors:Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A.
Deposit date:2010-06-21
Release date:2010-08-04
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
4ZFK
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BU of 4zfk by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine
Descriptor: 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
4ZFJ
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BU of 4zfj by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
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
7OC6
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BU of 7oc6 by Molmil
Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii
Descriptor: Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ...
Authors:Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
Deposit date:2021-04-26
Release date:2021-07-07
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OC5
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BU of 7oc5 by Molmil
Alpha-humulene synthase AsR6 from Sarocladium schorii
Descriptor: Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION
Authors:Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
Deposit date:2021-04-26
Release date:2021-07-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OC4
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BU of 7oc4 by Molmil
Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product.
Descriptor: (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
Deposit date:2021-04-26
Release date:2021-07-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
Descriptor: (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
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
7ZPN
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BU of 7zpn by Molmil
Crystal Structure of IscR from Dinoroseobacter shibae
Descriptor: GLYCEROL, HTH-type transcriptional regulator, SULFATE ION
Authors:Lukat, P, Ploetzky, L, Blankenfeldt, W, Jahn, D, Haertig, E.
Deposit date:2022-04-28
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Dinoroseobacter shibae IscR homolog acts as a repressor for iron acquisition genes
To Be Published
8AJQ
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BU of 8ajq by Molmil
Crystal structure of PA2722 from Pseudomonas aeruginosa PAO1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CENP-V/GFA domain-containing protein, GLYCEROL, ...
Authors:Popp, M.A, Blankenfeldt, W.
Deposit date:2022-07-28
Release date:2022-10-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of PA2722 from P. aeruginosa PAO1
To Be Published
6YHL
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BU of 6yhl by Molmil
Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704
Descriptor: Cytotoxic necrotizing factor
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (3.277 Å)
Cite: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
Descriptor: Cytotoxic necrotizing factor, MAGNESIUM ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021

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