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2W03
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BU of 2w03 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi
Descriptor: ACSD, ADENOSINE, CITRIC ACID, ...
Authors:Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
Deposit date:2008-08-08
Release date:2009-01-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
2W04
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BU of 2w04 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with citrate in ATP binding site from Pectobacterium Chrysanthemi
Descriptor: ACSD, CITRATE ANION
Authors:Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
Deposit date:2008-08-08
Release date:2009-01-13
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
2W02
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BU of 2w02 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with ATP from Pectobacterium Chrysanthemi
Descriptor: ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
Deposit date:2008-08-08
Release date:2009-01-13
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis.
Nat. Chem. Biol., 5, 2009
2X3K
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BU of 2x3k by Molmil
CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH AMP AND SULFATE FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor: ACSD, ADENOSINE MONOPHOSPHATE, SULFATE ION
Authors:Schmelz, S, Naismith, J.H.
Deposit date:2010-01-25
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Adenylate Forming Enzymes Involved in Nrps-Independent Siderophore Biosynthesis
Ph D Thesis, 2010
2X3J
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BU of 2x3j by Molmil
CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ATP AND N-CITRYL-ETHYLENEDIAMINE FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, ACSD, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Schmelz, S, Challis, G.L, Naismith, J.H.
Deposit date:2010-01-25
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Acyl Acceptor Specificity in the Achromobactin Biosynthetic Enzyme Acsd.
J.Mol.Biol., 412, 2011
2X0Q
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BU of 2x0q by Molmil
CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHESIS PROTEIN C (ALCC) WITH ATP FROM Bordetella bronchiseptica
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ALCALIGIN BIOSYNTHESIS PROTEIN, MAGNESIUM ION
Authors:Schmelz, S, Challis, G.L, Naismith, J.H.
Deposit date:2009-12-16
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Co-Complex Structure of Alcaligin Biosynthesis Protein C (Alcc) with ATP from Bordetella Bronchiseptica
To be Published
2X0P
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BU of 2x0p by Molmil
CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHETASE PROTEIN C (ALCC) WITH ADENOSINE FROM Bordetella bronchiseptica
Descriptor: ADENOSINE, ALCALIGIN BIOSYNTHESIS PROTEIN, SULFATE ION
Authors:Schmelz, S, Challis, G.L, Naismith, J.H.
Deposit date:2009-12-16
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Co-Complex Structure of Alcaligin Biosynthetase Protein C (Alcc) with Adenosine from Bordetella Bronchiseptica
To be Published
5FZP
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BU of 5fzp by Molmil
Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis
Descriptor: CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL
Authors:Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
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
3FFE
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BU of 3ffe by Molmil
Structure of Achromobactin Synthetase Protein D, (AcsD)
Descriptor: AcsD
Authors:McMahon, S.A, Liu, H, Carter, L, Oke, M, Johnson, K.A, Schmelz, S, Challis, G.L, White, M.F, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2008-12-03
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis
Nat.Chem.Biol., 5, 2009
6GMG
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BU of 6gmg by Molmil
Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ...
Authors:Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
Deposit date:2018-05-25
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
FEBS J., 285, 2018
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
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
6YZE
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BU of 6yze by Molmil
Zinc metalloprotease ProA from native source
Descriptor: ZINC ION, Zinc metalloproteinase
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-05-06
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 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
8BTJ
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BU of 8btj by Molmil
Murine cytomegalovirus protein M35
Descriptor: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
Authors:Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
Deposit date:2022-11-29
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
6I0I
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BU of 6i0i by Molmil
Structure of the streptomyces subtilisin and TAMP inhibitor (SSTI)
Descriptor: Transglutaminase-activating metalloprotease inhibitor
Authors:Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
Deposit date:2018-10-26
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:The N-terminal peptide of the transglutaminase-activating metalloprotease inhibitor from Streptomyces mobaraensis accommodates both inhibition and glutamine cross-linking sites.
Febs J., 287, 2020
5OJY
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BU of 5ojy by Molmil
Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger
Descriptor: CITRIC ACID, GLYCEROL, Pamamycin 607, ...
Authors:Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
Deposit date:2017-07-24
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
5OJX
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BU of 5ojx by Molmil
Crystal structure of regulator protein 2 (PamR2) from the pamamycin biosynthetic gene cluster of Streptomyces alboniger
Descriptor: TetR family transcription regulator
Authors:Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
Deposit date:2017-07-24
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
7P4U
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BU of 7p4u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Descriptor: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-07-13
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
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
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
5NTB
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BU of 5ntb by Molmil
Streptomyces papain inhibitor (SPI)
Descriptor: Papain inhibitor, SULFATE ION
Authors:Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Illuminating structure and acyl donor sites of a physiological transglutaminase substrate from Streptomyces mobaraensis.
Protein Sci., 27, 2018
4ALZ
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BU of 4alz by Molmil
The Yersinia T3SS basal body component YscD reveals a different structural periplasmatic domain organization to known homologue PrgH
Descriptor: GLYCEROL, PHOSPHATE ION, YOP PROTEINS TRANSLOCATION PROTEIN D
Authors:Schmelz, S, Wisand, U, Stenta, M, Muenich, S, Widow, U, Cornelis, G.R, Heinz, D.W.
Deposit date:2012-03-06
Release date:2013-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome.
Elife, 2, 2013

 

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