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6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q7V
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BU of 6q7v by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11
Descriptor: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6R6U
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BU of 6r6u by Molmil
Crystal structure of human cis-aconitate decarboxylase
Descriptor: (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION
Authors:Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
Deposit date:2019-03-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R6T
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BU of 6r6t by Molmil
Crystal structure of mouse cis-aconitate decarboxylase
Descriptor: Cis-aconitate decarboxylase
Authors:Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
Deposit date:2019-03-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.535 Å)
Cite:Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
3UI4
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BU of 3ui4 by Molmil
0.8 A resolution crystal structure of human Parvulin 14
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UI5
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BU of 3ui5 by Molmil
Crystal structure of human Parvulin 14
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UI6
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BU of 3ui6 by Molmil
0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
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
3ZHH
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BU of 3zhh by Molmil
X-ray structure of the full-length beta-lactamase from M.tuberculosis
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Feiler, C, Fisher, A.C, Marrichi, M.J, Wright, L, Schmidpeter, P.A.M, Blankenfeldt, W, Pavelka, M, DeLisa, M.P.
Deposit date:2012-12-21
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Directed Evolution of Mycobacterium Tuberculosis Beta-Lactamase Reveals Gatekeeper Residue that Regulates Antibiotic Resistance and Catalytic Efficiency.
Plos One, 8, 2013
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:2014-11-05
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
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
5JBW
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BU of 5jbw by Molmil
Crystal structure of LiuC
Descriptor: 3-hydroxybutyryl-CoA dehydratase
Authors:Bock, T, Reichelt, J, Mueller, R, Blankenfeldt, W.
Deposit date:2016-04-14
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of LiuC, a 3-Hydroxy-3-Methylglutaconyl CoA Dehydratase Involved in Isovaleryl-CoA Biosynthesis in Myxococcus xanthus, Reveals Insights into Specificity and Catalysis.
Chembiochem, 17, 2016
5K1S
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BU of 5k1s by Molmil
crystal structure of AibC
Descriptor: Oxidoreductase, zinc-binding dehydrogenase family, ZINC ION
Authors:Bock, T, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-18
Release date:2016-08-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Acta Crystallogr.,Sect.F, 72, 2016
5K7F
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BU of 5k7f by Molmil
Crystal structure of apo AibR
Descriptor: ACETATE ION, Transcriptional regulator, TetR family
Authors:Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-26
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
5K7Z
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BU of 5k7z by Molmil
Crystal structure of AibR in complex with isovaleryl coenzyme A and operator DNA
Descriptor: DNA (32-MER), Isovaleryl-coenzyme A, Transcriptional regulator, ...
Authors:Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-27
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of AibR in complex with isovaleryl coenzyme A and operator DNA
to be published
5K7H
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BU of 5k7h by Molmil
Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A
Descriptor: CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ...
Authors:Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-26
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
5MZW
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BU of 5mzw by Molmil
Crystal structure of the decarboxylase AibA/AibB
Descriptor: GLYCEROL, Glutaconate CoA-transferase family, subunit A, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MZY
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BU of 5mzy by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog
Descriptor: (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N00
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BU of 5n00 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56A variant
Descriptor: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N03
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BU of 5n03 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56V variant
Descriptor: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NCH
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BU of 5nch by Molmil
GriE apo form
Descriptor: Leucine hydroxylase
Authors:Lukat, P, Blankenfeldt, W, Mueller, R.
Deposit date:2017-03-05
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017

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PDB entries from 2024-05-15

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