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3GDI
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BU of 3gdi by Molmil
Mammalian Clock Protein mPER2 - Crystal Structure of a PAS Domain Fragment
Descriptor: Period circadian protein homolog 2
Authors:Hennig, S, Wolf, E.
Deposit date:2009-02-24
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional analyses of PAS domain interactions of the clock proteins Drosophila PERIOD and mouse PERIOD2.
Plos Biol., 7, 2009
6SZQ
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BU of 6szq by Molmil
Crystal structure of human DDAH-1
Descriptor: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
Authors:Hennig, S, Vetter, I.R, Schade, D.
Deposit date:2019-10-02
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.412 Å)
Cite:Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
J.Med.Chem., 63, 2020
6SZP
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BU of 6szp by Molmil
High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine
Descriptor: (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
Authors:Hennig, S, Vetter, I.R, Schade, D.
Deposit date:2019-10-02
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
J.Med.Chem., 63, 2020
4X21
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BU of 4x21 by Molmil
The MAP kinase JNK3 as target for halogen bonding
Descriptor: CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
Authors:Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F.
Deposit date:2014-11-25
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
J.Am.Chem.Soc., 137, 2015
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
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
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Binding dynamics of a stapled peptide targeting the transcription factor NF-Y.
Chembiochem, 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
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
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Binding dynamics of a stapled peptide targeting the transcription factor NF-Y.
Chembiochem, 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
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
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Binding dynamics of a stapled peptide targeting the transcription factor NF-Y.
Chembiochem, 2024
8PI1
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BU of 8pi1 by Molmil
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
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
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
6YIB
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BU of 6yib by Molmil
14-3-3 sigma in complex with SMAD3 pS423 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIC
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BU of 6yic by Molmil
14-3-3 sigma in complex with SMAD4 pS403 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, GLYCEROL, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIA
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BU of 6yia by Molmil
14-3-3 sigma in complex with SMAD2 pS465 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6XWD
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BU of 6xwd by Molmil
14-3-3 sigma bound to canonical mono-phosphorylated aminopeptidase N (APN, CD13) binding motif
Descriptor: 14-3-3 protein sigma, Amino peptidase N 38-46, CALCIUM ION, ...
Authors:Kiehstaller, S, Hennig, S.
Deposit date:2020-01-23
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60000193 Å)
Cite:MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020
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
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
6QMP
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BU of 6qmp by Molmil
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
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
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
7AEW
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BU of 7aew by Molmil
14-3-3 sigma bound to bis-phosphorylated aminopeptidase N (APN, CD13) via canonical and non-canonical binding motifs
Descriptor: 14-3-3 protein sigma, Aminopeptidase N, CHLORIDE ION, ...
Authors:Kiehstaller, S, Hennig, S.
Deposit date:2020-09-18
Release date:2020-11-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020
1WA9
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BU of 1wa9 by Molmil
Crystal Structure of the PAS repeat region of the Drosophila clock protein PERIOD
Descriptor: PERIOD CIRCADIAN PROTEIN
Authors:Yildiz, O, Doi, M, Yujnovsky, I, Cardone, L, Berndt, A, Hennig, S, Schulze, S, Urbanke, C, Sassone-Corsi, P, Wolf, E.
Deposit date:2004-10-25
Release date:2005-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal Structure and Interactions of the Pas Repeat Region of the Drosophila Clock Protein Period
Mol.Cell, 17, 2005
5BUG
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BU of 5bug by Molmil
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:2024-01-10
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
5BZX
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BU of 5bzx by Molmil
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
5BZZ
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BU of 5bzz by Molmil
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
7AR4
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BU of 7ar4 by Molmil
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
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
Descriptor: 14-3-3 protein zeta/delta, EtMe
Authors:Wallraven, K, Grossmann, T.N, Hennig, S.
Deposit date:2019-05-03
Release date:2020-03-18
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.
Chem Sci, 11, 2020
4DJ2
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BU of 4dj2 by Molmil
Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function
Descriptor: Period circadian protein homolog 1
Authors:Kucera, N, Schmalen, I, Hennig, S, Oellinger, R, Strauss, H.M, Grudziecki, A, Wieczorek, C, Kramer, A, Wolf, E.
Deposit date:2012-02-01
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Unwinding the differences of the mammalian PERIOD clock proteins from crystal structure to cellular function.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DJ3
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BU of 4dj3 by Molmil
Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function
Descriptor: Period circadian protein homolog 3
Authors:Wolf, E, Kucera, N, Hennig, S.
Deposit date:2012-02-01
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unwinding the differences of the mammalian PERIOD clock proteins from crystal structure to cellular function.
Proc.Natl.Acad.Sci.USA, 109, 2012

 

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