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PDB: 250 results

9F96
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BU of 9f96 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-ethoxybenzoic acid
Descriptor: 1,2-ETHANEDIOL, 2-azanyl-3-ethoxy-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F92
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BU of 9f92 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-nitrobenzoic acid
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-azanyl-3-nitro-benzoic acid, SULFATE ION, ...
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F95
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BU of 9f95 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid
Descriptor: 2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F94
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BU of 9f94 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(3-hydroxyphenyl)benzoic acid
Descriptor: 2-azanyl-5-(3-hydroxyphenyl)benzoic acid, ACETATE ION, FORMIC ACID, ...
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
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
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
4AY8
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BU of 4ay8 by Molmil
SeMet-derivative of a methyltransferase from M. mazei
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-THIOETHANESULFONIC ACID, GLYCEROL, ...
Authors:Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeldt, W, Bayer, P, Faust, A.
Deposit date:2012-06-18
Release date:2012-10-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei
Acta Crystallogr.,Sect.D, 68, 2012
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
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
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
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of PA2722 from P. aeruginosa PAO1
To Be Published
7R3J
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BU of 7r3j by Molmil
Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3H
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BU of 7r3h by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
Descriptor: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.49 Å)
Cite: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
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, PROSS optimized variant of RhlR with 61 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
4PIP
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BU of 4pip by Molmil
Engineered EgtD variant EgtD-M252V,E282A in complex with tryptophan and SAH
Descriptor: CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ...
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 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
4PIO
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BU of 4pio by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine and SAH
Descriptor: CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ...
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
4PIM
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BU of 4pim by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD, apo form
Descriptor: ACETATE ION, Histidine-specific methyltransferase EgtD
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
7R3F
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BU of 7r3f by Molmil
Monomeric PqsE mutant E187R
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3E
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BU of 7r3e by Molmil
Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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
4PIN
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BU of 4pin by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine
Descriptor: Histidine-specific methyltransferase EgtD, N,N-dimethyl-L-histidine, PHOSPHATE ION
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
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

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PDB entries from 2024-10-30

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