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PDB: 243 results

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
7QA0
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BU of 7qa0 by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 1456
Descriptor: Multiple virulence factor regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Divergent Synthesis and Biological Evaluation of inverse agonists targeting PqsR
To Be Published
7QAV
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BU of 7qav by Molmil
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
Descriptor: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Divergent Synthesis and Biological Evaluation of inverse agonists targeting PqsR
To Be Published
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
Descriptor: Multiple virulence factor regulator MvfR, N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Divergent Synthesis and Biological Evaluation of inverse agonists targeting PqsR
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:2024-05-15
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
6RTE
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BU of 6rte by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
Descriptor: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C
Authors:Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
Deposit date:2019-05-23
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
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
6YHN
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Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis
Descriptor: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, 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:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
7AL5
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BU of 7al5 by Molmil
Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
7AL6
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BU of 7al6 by Molmil
Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Probable hydrolase, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
6YHK
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Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis
Descriptor: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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
Descriptor: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
6RTD
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BU of 6rtd by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
Descriptor: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ...
Authors:Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
Deposit date:2019-05-23
Release date:2019-06-19
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
8CIX
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BU of 8cix by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin.
Descriptor: ACETATE ION, Beta sliding clamp, CALCIUM ION, ...
Authors:Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
Deposit date:2023-02-11
Release date:2023-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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
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
6YA1
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BU of 6ya1 by Molmil
Zinc metalloprotease ProA
Descriptor: ACETATE ION, CALCIUM ION, ZINC ION, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-03-11
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
7OZQ
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BU of 7ozq by Molmil
Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop
Descriptor: 50S ribosomal protein L7Ae, ACETATE ION, CALCIUM ION, ...
Authors:Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W.
Deposit date:2021-06-28
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites.
Sci Rep, 11, 2021
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
8B4A
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BU of 8b4a by Molmil
Nativ complex of PqsE and RhlR with autoinducer C4-HSL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ...
Authors:Borgert, S.R, Blankenfeldt, W.
Deposit date:2022-09-20
Release date:2022-12-14
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
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:2024-05-08
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
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:2024-05-08
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
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:2024-05-08
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

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PDB entries from 2024-05-15

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