3GDI
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![BU of 3gdi by Molmil](/molmil-images/mine/3gdi) | |
6SZP
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![BU of 6szp by Molmil](/molmil-images/mine/6szp) | High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine | 分子名称: | (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 著者 | Hennig, S, Vetter, I.R, Schade, D. | 登録日 | 2019-10-02 | 公開日 | 2019-12-25 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | 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
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6SZQ
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![BU of 6szq by Molmil](/molmil-images/mine/6szq) | Crystal structure of human DDAH-1 | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 著者 | Hennig, S, Vetter, I.R, Schade, D. | 登録日 | 2019-10-02 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.412 Å) | 主引用文献 | 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
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5JM4
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![BU of 5jm4 by Molmil](/molmil-images/mine/5jm4) | 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
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6RLZ
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![BU of 6rlz by Molmil](/molmil-images/mine/6rlz) | |
4X21
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![BU of 4x21 by Molmil](/molmil-images/mine/4x21) | The MAP kinase JNK3 as target for halogen bonding | 分子名称: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | 著者 | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | 登録日 | 2014-11-25 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. J.Am.Chem.Soc., 137, 2015
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7AEW
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![BU of 7aew by Molmil](/molmil-images/mine/7aew) | |
8QU4
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![BU of 8qu4 by Molmil](/molmil-images/mine/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 | 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
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6QMQ
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![BU of 6qmq by Molmil](/molmil-images/mine/6qmq) | 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
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8QU3
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![BU of 8qu3 by Molmil](/molmil-images/mine/8qu3) | 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
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8QU2
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![BU of 8qu2 by Molmil](/molmil-images/mine/8qu2) | 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
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6QMP
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![BU of 6qmp by Molmil](/molmil-images/mine/6qmp) | 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
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6QMS
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![BU of 6qms by Molmil](/molmil-images/mine/6qms) | 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
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6YIA
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![BU of 6yia by Molmil](/molmil-images/mine/6yia) | |
6YIB
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![BU of 6yib by Molmil](/molmil-images/mine/6yib) | |
6YIC
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![BU of 6yic by Molmil](/molmil-images/mine/6yic) | |
8PI1
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![BU of 8pi1 by Molmil](/molmil-images/mine/8pi1) | 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
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1WA9
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![BU of 1wa9 by Molmil](/molmil-images/mine/1wa9) | Crystal Structure of the PAS repeat region of the Drosophila clock protein PERIOD | 分子名称: | PERIOD CIRCADIAN PROTEIN | 著者 | Yildiz, O, Doi, M, Yujnovsky, I, Cardone, L, Berndt, A, Hennig, S, Schulze, S, Urbanke, C, Sassone-Corsi, P, Wolf, E. | 登録日 | 2004-10-25 | 公開日 | 2005-01-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Crystal Structure and Interactions of the Pas Repeat Region of the Drosophila Clock Protein Period Mol.Cell, 17, 2005
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6XWD
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![BU of 6xwd by Molmil](/molmil-images/mine/6xwd) | |
7AR4
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![BU of 7ar4 by Molmil](/molmil-images/mine/7ar4) | 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
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5BUG
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![BU of 5bug by Molmil](/molmil-images/mine/5bug) | 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 | 2024-01-10 | 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
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5BZZ
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![BU of 5bzz by Molmil](/molmil-images/mine/5bzz) | 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
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5BZX
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![BU of 5bzx by Molmil](/molmil-images/mine/5bzx) | 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
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8Q1T
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![BU of 8q1t by Molmil](/molmil-images/mine/8q1t) | X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 | 分子名称: | 1,10-PHENANTHROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | 著者 | Cederfelt, D, Lund, B.A, Boronat, P, Hennig, S, Dobritzsch, D, Danielson, U.H. | 登録日 | 2023-08-01 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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4DJ2
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![BU of 4dj2 by Molmil](/molmil-images/mine/4dj2) | Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function | 分子名称: | Period circadian protein homolog 1 | 著者 | Kucera, N, Schmalen, I, Hennig, S, Oellinger, R, Strauss, H.M, Grudziecki, A, Wieczorek, C, Kramer, A, Wolf, E. | 登録日 | 2012-02-01 | 公開日 | 2012-02-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | 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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