6TPE
 
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6TPF
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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4NFZ
 | | Crystal structure of polymerase subunit PA N-terminal endonuclease domain from bat-derived influenza virus H17N10 | | Descriptor: | MANGANESE (II) ION, Polymerase PA | | Authors: | Tefsen, B, Lu, G, Zhu, Y, Haywood, J, Zhao, L, Deng, T, Qi, J, Gao, G.F. | | Deposit date: | 2013-11-01 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The N-Terminal Domain of PA from Bat-Derived Influenza-Like Virus H17N10 Has Endonuclease Activity
J.Virol., 88, 2014
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8B4Q
 | | Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5 | | Descriptor: | 14-3-3 protein sigma, 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-09-20 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
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8B5P
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8BI7
 | | Binary structure of 14-3-3s and PKR phosphopeptide | | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
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6TPD
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | | Authors: | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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8B5X
 | | Crystal structure of the SUN1-KASH6 9:6 complex | | Descriptor: | CHLORIDE ION, Inositol 1,4,5-triphosphate receptor associated 2, POTASSIUM ION, ... | | Authors: | Erlandsen, B.S, Gurusaran, M, Davies, O.R. | | Deposit date: | 2022-09-25 | | Release date: | 2023-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The crystal structure of SUN1-KASH6 reveals an asymmetric LINC complex architecture compatible with nuclear membrane insertion.
Commun Biol, 7, 2024
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6H7D
 | | Crystal Structure of A. thaliana Sugar Transport Protein 10 in complex with glucose in the outward occluded state | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PHOSPHATE ION, ... | | Authors: | Pedersen, B.P, Paulsen, P.A, Custodio, T.F. | | Deposit date: | 2018-07-31 | | Release date: | 2019-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the plant symporter STP10 illuminates sugar uptake mechanism in monosaccharide transporter superfamily.
Nat Commun, 10, 2019
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5L59
 | | Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P2(1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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5L56
 | | Plexin A1 full extracellular region, domains 1 to 10, to 4 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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6THA
 | | Crystal structure of human sugar transporter GLUT1 (SLC2A1) in the inward conformation | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Solute carrier family 2, ... | | Authors: | Pedersen, B.P, Paulsen, P.A, Custodio, T.F. | | Deposit date: | 2019-11-19 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural comparison of GLUT1 to GLUT3 reveal transport regulation mechanism in sugar porter family.
Life Sci Alliance, 4, 2021
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5L5C
 | | Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P4(3)2(1)2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, ... | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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6RM7
 | | Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-05 | | 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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8BJG
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8BJN
 | | Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6 | | Descriptor: | 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-11-04 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
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8BM5
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7O07
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7NEC
 | | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217 | | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma | | Authors: | Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
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3HRZ
 | | Cobra Venom Factor (CVF) in complex with human factor B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ... | | Authors: | Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
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3HS0
 | | Cobra Venom Factor (CVF) in complex with human factor B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ... | | Authors: | Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
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8BFC
 | | Binary structure of 14-3-3s and RND3 phosphopeptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-10-24 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
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8C40
 | | 14-3-3sigma bound to PKA-responsive ERa phosphopeptide | | Descriptor: | 14-3-3 protein sigma, Estrogen Receptor alpha phosphopeptide, MAGNESIUM ION | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-12-30 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
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8C43
 | | Ternary structure of 14-3-3sigma, strep-tagged PKA-responsive ERa phosphopeptide, and Fusicoccin-A. | | Descriptor: | 14-3-3 protein sigma, De-acetylated Fusicoccin, Estrogen Receptor alpha phosphopeptide, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-12-30 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
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8C42
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