4DJS
 
 | | Structure of beta-catenin in complex with a stapled peptide inhibitor | | Descriptor: | Catenin beta-1, stapled peptide RRWPQ(MK8)ILD(MK8)HVRRVWR | | Authors: | Bowman, B.R, Grossmann, T.N, Yeh, J.T.-H, Verdine, G.L. | | Deposit date: | 2012-02-02 | | Release date: | 2012-10-17 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (3.029 Å) | | Cite: | Inhibition of oncogenic Wnt signaling through direct targeting of beta-catenin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8PI1
 | | Bicyclic INCYPRO Pseudomonas fluorescens esterase | | Descriptor: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | | Authors: | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-06-20 | | Release date: | 2023-11-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Covalent bicyclization of protein complexes yields durable quaternary structures.
Chem, 10, 2024
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7AR4
 | | Crystal structure of beta-catenin in complex with cyclic peptide inhibitor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cadherin-1, ... | | Authors: | Wendt, M, Pearce, N.M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bicyclic beta-Sheet Mimetics that Target the Transcriptional Coactivator beta-Catenin and Inhibit Wnt Signaling.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5BUG
 | | Crystal structure of human phosphatase PTEN oxidized by H2O2 | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-03 | | Release date: | 2015-10-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5BZZ
 | | Crystal structure of human phosphatase PTEN in its reduced state | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5BZX
 | | Crystal structure of human phosphatase PTEN treated with a bisperoxovanadium complex | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, VANADATE ION | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6RLZ
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6SBA
 | | Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic | | Descriptor: | ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ... | | Authors: | Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R. | | Deposit date: | 2019-07-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
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8RU3
 | | Crystal structure of beta-catenin in complex with alpha-helical peptide inhibitor | | Descriptor: | Axin-1, CHLORIDE ION, Catenin beta-1 | | Authors: | Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2024-01-30 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin.
Angew.Chem.Int.Ed.Engl., 2024
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6QMQ
 | | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ... | | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2019-02-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6QMP
 | | NF-YB/C Heterodimer in Complex with NF-YA Peptide | | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma | | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2019-02-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6QMS
 | | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker | | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma | | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2019-02-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
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8QU4
 | | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
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8QU2
 | | NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
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8QU3
 | | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
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8RU4
 | | Crystal structure of Human Catenin Beta-1 in complex with stitched peptide inhibitor | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Axin-1, CHLORIDE ION, ... | | Authors: | Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2024-01-30 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin.
Angew.Chem.Int.Ed.Engl., 2024
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4N7G
 | | Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL | | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | | Deposit date: | 2013-10-15 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5JM4
 | | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | | Deposit date: | 2016-04-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
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5J31
 | | Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S | | Authors: | Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T. | | Deposit date: | 2016-03-30 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis.
Chembiochem, 17, 2016
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4N84
 | | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | | Deposit date: | 2013-10-17 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4N7Y
 | | Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | | Deposit date: | 2013-10-16 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6H9O
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6H9N
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7OSD
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7OS8
 | | NMR SOLUTION STRUCTURE OF [Pro3,DLeu9]TL | | Descriptor: | PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A. | | Deposit date: | 2021-06-08 | | Release date: | 2021-08-11 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
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