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PDB: 39 results

8BTJ
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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
5FZP
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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
7NBW
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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
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
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
6I0I
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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
6YIZ
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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
6YA1
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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
6YZE
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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
6GMG
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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
6FHP
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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
5OJY
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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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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
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
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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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
4ALZ
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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
4A1X
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Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data)
Descriptor: CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1T
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BU of 4a1t by Molmil
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-19
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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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BU of 4aor by Molmil
Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4A1V
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BU of 4a1v by Molmil
Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E
Descriptor: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4AOQ
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BU of 4aoq by Molmil
Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A)
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
4CH7
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Crystal structure of the siroheme decarboxylase NirDL
Descriptor: NIRD-LIKE PROTEIN
Authors:Schmelz, S, Kriegler, T.M, Haufschildt, K, Layer, G, Heinz, D.W.
Deposit date:2013-11-29
Release date:2014-07-30
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
J.Mol.Biol., 426, 2014

 

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