6ZVE
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![BU of 6zve by Molmil](/molmil-images/mine/6zve) | |
6RKI
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![BU of 6rki by Molmil](/molmil-images/mine/6rki) | Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-30 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RKM
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![BU of 6rkm by Molmil](/molmil-images/mine/6rkm) | Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-30 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5LYQ
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![BU of 5lyq by Molmil](/molmil-images/mine/5lyq) | Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator. | Descriptor: | (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Ottmann, C. | Deposit date: | 2016-09-28 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Designed Spiroketal Protein Modulation. Angew. Chem. Int. Ed. Engl., 56, 2017
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6RL4
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![BU of 6rl4 by Molmil](/molmil-images/mine/6rl4) | Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-05-01 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RX2
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![BU of 6rx2 by Molmil](/molmil-images/mine/6rx2) | Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-07 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6S39
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![BU of 6s39 by Molmil](/molmil-images/mine/6s39) | Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-24 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6S3C
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![BU of 6s3c by Molmil](/molmil-images/mine/6s3c) | Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5MMW
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![BU of 5mmw by Molmil](/molmil-images/mine/5mmw) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-12 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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6S9Q
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![BU of 6s9q by Molmil](/molmil-images/mine/6s9q) | Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-07-15 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5MKU
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![BU of 5mku by Molmil](/molmil-images/mine/5mku) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-05 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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3I6S
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![BU of 3i6s by Molmil](/molmil-images/mine/3i6s) | Crystal Structure of the plant subtilisin-like protease SBT3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Subtilisin-like protease, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rose, R, Ottmann, C. | Deposit date: | 2009-07-07 | Release date: | 2010-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for Ca2+-independence and activation by homodimerization of tomato subtilase 3. Proc.Natl.Acad.Sci.USA, 106, 2009
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6SIN
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![BU of 6sin by Molmil](/molmil-images/mine/6sin) | Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SIP
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![BU of 6sip by Molmil](/molmil-images/mine/6sip) | Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 7-methoxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.600447 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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7AXN
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![BU of 7axn by Molmil](/molmil-images/mine/7axn) | 14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026 | Descriptor: | 14-3-3 protein sigma, 3-chloranyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | Deposit date: | 2020-11-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7AYF
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![BU of 7ayf by Molmil](/molmil-images/mine/7ayf) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110 | Descriptor: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | Deposit date: | 2020-11-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6SIQ
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![BU of 6siq by Molmil](/molmil-images/mine/6siq) | Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.60121 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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7B15
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![BU of 7b15 by Molmil](/molmil-images/mine/7b15) | |
7B13
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![BU of 7b13 by Molmil](/molmil-images/mine/7b13) | |
6F09
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![BU of 6f09 by Molmil](/molmil-images/mine/6f09) | Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide | Descriptor: | 14-3-3 protein zeta/delta, Ubiquitin carboxyl-terminal hydrolase 8 | Authors: | Centorrino, F, Ballone, A, Ottmann, C, Guo, S, Leysen, S. | Deposit date: | 2017-11-17 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Biophysical and structural insight into the USP8/14-3-3 interaction. FEBS Lett., 592, 2018
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5MJ5
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![BU of 5mj5 by Molmil](/molmil-images/mine/5mj5) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-11-30 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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4FL5
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![BU of 4fl5 by Molmil](/molmil-images/mine/4fl5) | |
6TCH
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6G8L
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![BU of 6g8l by Molmil](/molmil-images/mine/6g8l) | 14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-SER-BLE-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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5MKJ
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![BU of 5mkj by Molmil](/molmil-images/mine/5mkj) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-05 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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