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PDB: 41 件

7NBW
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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
8BTJ
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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
5FZP
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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
6I0I
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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
6YIZ
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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
6GMG
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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
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
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
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
7P4U
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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
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
4CH7
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Crystal structure of the siroheme decarboxylase NirDL
分子名称: NIRD-LIKE PROTEIN
著者Schmelz, S, Kriegler, T.M, Haufschildt, K, Layer, G, Heinz, D.W.
登録日2013-11-29
公開日2014-07-30
最終更新日2014-09-10
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
J.Mol.Biol., 426, 2014
4CZC
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Crystal structure of the siroheme decarboxylase NirDL in co-complex with iron-uroporphyrin III analogue
分子名称: Fe(III) Uroporphyrin, NIRD-LIKE PROTEIN
著者Schmelz, S, Kriegler, T.M, Haufschildt, K, Layer, G, Heinz, D.W.
登録日2014-04-17
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
J.Mol.Biol., 426, 2014
5OJY
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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
5OJX
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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
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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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
4A1T
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Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-19
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1X
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Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data)
分子名称: CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.
登録日2011-09-20
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1V
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Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E
分子名称: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-20
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4AOR
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Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
登録日2012-03-29
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4ABI
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Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
分子名称: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
著者Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
登録日2011-12-08
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4ABJ
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Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
分子名称: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
著者Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
登録日2011-12-08
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012

 

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