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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
分子名称: ACSD, ADENOSINE, CITRIC ACID, ...
著者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.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献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
分子名称: ACSD, CITRATE ANION
著者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.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者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.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis.
Nat. Chem. Biol., 5, 2009
2X0P
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BU of 2x0p by Molmil
CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHETASE PROTEIN C (ALCC) WITH ADENOSINE FROM Bordetella bronchiseptica
分子名称: ADENOSINE, ALCALIGIN BIOSYNTHESIS PROTEIN, SULFATE ION
著者Schmelz, S, Challis, G.L, Naismith, J.H.
登録日2009-12-16
公開日2010-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Co-Complex Structure of Alcaligin Biosynthetase Protein C (Alcc) with Adenosine from Bordetella Bronchiseptica
To be Published
2X3K
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH AMP AND SULFATE FROM PECTOBACTERIUM CHRYSANTHEMI
分子名称: ACSD, ADENOSINE MONOPHOSPHATE, SULFATE ION
著者Schmelz, S, Naismith, J.H.
登録日2010-01-25
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Adenylate Forming Enzymes Involved in Nrps-Independent Siderophore Biosynthesis
Ph D Thesis, 2010
2X0Q
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BU of 2x0q by Molmil
CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHESIS PROTEIN C (ALCC) WITH ATP FROM Bordetella bronchiseptica
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ALCALIGIN BIOSYNTHESIS PROTEIN, MAGNESIUM ION
著者Schmelz, S, Challis, G.L, Naismith, J.H.
登録日2009-12-16
公開日2010-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Co-Complex Structure of Alcaligin Biosynthesis Protein C (Alcc) with ATP from Bordetella Bronchiseptica
To be Published
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
分子名称: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, ACSD, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schmelz, S, Challis, G.L, Naismith, J.H.
登録日2010-01-25
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Acyl Acceptor Specificity in the Achromobactin Biosynthetic Enzyme Acsd.
J.Mol.Biol., 412, 2011
6YA1
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Zinc metalloprotease ProA
分子名称: ACETATE ION, CALCIUM ION, ZINC ION, ...
著者Schmelz, S, Blankenfeldt, W.
登録日2020-03-11
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
5FZP
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BU of 5fzp by Molmil
Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis
分子名称: CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL
著者Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A.
登録日2016-03-15
公開日2016-08-10
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
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
分子名称: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
6FHP
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DAIP in complex with a C-terminal fragment of thermolysin
分子名称: Dispase autolysis-inducing protein, Thermolysin
著者Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
登録日2018-01-15
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献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
分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-01-28
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献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)
分子名称: AcsD
著者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)
登録日2008-12-03
公開日2009-02-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis
Nat.Chem.Biol., 5, 2009
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
分子名称: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
著者Schmelz, S, Blankenfeldt, W.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
6YZE
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Zinc metalloprotease ProA from native source
分子名称: ZINC ION, Zinc metalloproteinase
著者Schmelz, S, Blankenfeldt, W.
登録日2020-05-06
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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
分子名称: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
著者Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
登録日2022-11-29
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
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
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ...
著者Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
登録日2018-05-25
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
FEBS J., 285, 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
分子名称: TetR family transcription regulator
著者Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
登録日2017-07-24
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
5OJY
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BU of 5ojy by Molmil
Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger
分子名称: CITRIC ACID, GLYCEROL, Pamamycin 607, ...
著者Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
登録日2017-07-24
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
6I0I
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BU of 6i0i by Molmil
Structure of the streptomyces subtilisin and TAMP inhibitor (SSTI)
分子名称: Transglutaminase-activating metalloprotease inhibitor
著者Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
登録日2018-10-26
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献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
5NTB
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Streptomyces papain inhibitor (SPI)
分子名称: Papain inhibitor, SULFATE ION
著者Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
登録日2017-04-27
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: GLYCEROL, PHOSPHATE ION, YOP PROTEINS TRANSLOCATION PROTEIN D
著者Schmelz, S, Wisand, U, Stenta, M, Muenich, S, Widow, U, Cornelis, G.R, Heinz, D.W.
登録日2012-03-06
公開日2013-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome.
Elife, 2, 2013
7QA0
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Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 1456
分子名称: 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
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-15
公開日2022-11-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
7QA3
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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
分子名称: Multiple virulence factor regulator MvfR, N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-15
公開日2022-11-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
7QAV
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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
分子名称: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024

 

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