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4DJS
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BU of 4djs by Molmil
Structure of beta-catenin in complex with a stapled peptide inhibitor
分子名称: Catenin beta-1, stapled peptide RRWPQ(MK8)ILD(MK8)HVRRVWR
著者Bowman, B.R, Grossmann, T.N, Yeh, J.T.-H, Verdine, G.L.
登録日2012-02-02
公開日2012-10-17
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3.029 Å)
主引用文献Inhibition of oncogenic Wnt signaling through direct targeting of beta-catenin.
Proc.Natl.Acad.Sci.USA, 109, 2012
8PI1
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BU of 8pi1 by Molmil
Bicyclic INCYPRO Pseudomonas fluorescens esterase
分子名称: Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
著者Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S.
登録日2023-06-20
公開日2023-11-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Covalent bicyclization of protein complexes yields durable quaternary structures.
Chem, 10, 2024
7AR4
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BU of 7ar4 by Molmil
Crystal structure of beta-catenin in complex with cyclic peptide inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cadherin-1, ...
著者Wendt, M, Pearce, N.M, Grossmann, T.N, Hennig, S.
登録日2020-10-23
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bicyclic beta-Sheet Mimetics that Target the Transcriptional Coactivator beta-Catenin and Inhibit Wnt Signaling.
Angew.Chem.Int.Ed.Engl., 60, 2021
5BUG
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BU of 5bug by Molmil
Crystal structure of human phosphatase PTEN oxidized by H2O2
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-03
公開日2015-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5BZZ
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BU of 5bzz by Molmil
Crystal structure of human phosphatase PTEN in its reduced state
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5BZX
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BU of 5bzx by Molmil
Crystal structure of human phosphatase PTEN treated with a bisperoxovanadium complex
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, VANADATE ION
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
6RLZ
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BU of 6rlz by Molmil
Crystal Structure of 14-3-3zeta in complex with a macrocyclic 8-mer peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, EtMe
著者Wallraven, K, Grossmann, T.N, Hennig, S.
登録日2019-05-03
公開日2020-03-18
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.
Chem Sci, 11, 2020
6SBA
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BU of 6sba by Molmil
Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic
分子名称: ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ...
著者Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R.
登録日2019-07-19
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
8RU3
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BU of 8ru3 by Molmil
Crystal structure of beta-catenin in complex with alpha-helical peptide inhibitor
分子名称: Axin-1, CHLORIDE ION, Catenin beta-1
著者Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2024-01-30
公開日2024-09-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin.
Angew.Chem.Int.Ed.Engl., 2024
6QMQ
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BU of 6qmq by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ...
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMP
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BU of 6qmp by Molmil
NF-YB/C Heterodimer in Complex with NF-YA Peptide
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMS
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BU of 6qms by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
8QU4
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BU of 8qu4 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU2
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BU of 8qu2 by Molmil
NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
著者Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8RU4
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BU of 8ru4 by Molmil
Crystal structure of Human Catenin Beta-1 in complex with stitched peptide inhibitor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Axin-1, CHLORIDE ION, ...
著者Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2024-01-30
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin.
Angew.Chem.Int.Ed.Engl., 2024
4N7G
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BU of 4n7g by Molmil
Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-15
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
5JM4
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BU of 5jm4 by Molmil
Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU
著者Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T.
登録日2016-04-28
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
5J31
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BU of 5j31 by Molmil
Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S
著者Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T.
登録日2016-03-30
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis.
Chembiochem, 17, 2016
4N84
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BU of 4n84 by Molmil
Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-17
公開日2014-02-19
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
4N7Y
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BU of 4n7y by Molmil
Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-16
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
6H9O
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BU of 6h9o by Molmil
Complex of the periplasmic domains of bacterial cell division proteins FtsQ and FtsB
分子名称: Cell division protein FtsB, Cell division protein FtsQ
著者Kureisaite-Ciziene, D, Lowe, J.
登録日2018-08-05
公開日2018-09-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Analysis of the Interaction between the Bacterial Cell Division Proteins FtsQ and FtsB.
MBio, 9, 2018
6H9N
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BU of 6h9n by Molmil
Complex of the periplasmic domains of bacterial cell division proteins FtsQ and FtsB
分子名称: Cell division protein FtsB, Cell division protein FtsQ
著者Kureisaite-Ciziene, D, Lowe, J.
登録日2018-08-05
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis of the Interaction between the Bacterial Cell Division Proteins FtsQ and FtsB.
MBio, 9, 2018
7OSD
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BU of 7osd by Molmil
NMR Solution Structure of Peptide 12: First-in-class cyclic Temporin L analogue with antibacterial and antibiofilm activities
分子名称: PHE-VAL-PRO-TRP-PHE-LYS-LYS-PHE-DLE-GLU-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A.
登録日2021-06-08
公開日2021-08-11
最終更新日2021-08-25
実験手法SOLUTION NMR
主引用文献First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
7OS8
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BU of 7os8 by Molmil
NMR SOLUTION STRUCTURE OF [Pro3,DLeu9]TL
分子名称: PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A.
登録日2021-06-08
公開日2021-08-11
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021

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