6ELK
| C.elegans MnSOD-3 mutant - Q142H | Descriptor: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Hunter, G.J, Trinh, C.H, Hunter, T. | Deposit date: | 2017-09-29 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron. Chemistry, 24, 2018
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6GQJ
| Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18) | Descriptor: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQO
| Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18) | Descriptor: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2 | Authors: | Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQK
| Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQM
| Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | Descriptor: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQQ
| Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQP
| Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQL
| Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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3G33
| Crystal structure of CDK4/cyclin D3 | Descriptor: | CCND3 protein, Cell division protein kinase 4 | Authors: | Takaki, T, Echalier, A, Brown, N.R, Hunt, T, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2009-02-01 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of CDK4/cyclin D3 has implications for models of CDK activation. Proc.Natl.Acad.Sci.USA, 106, 2009
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4X9Q
| MnSOD-3 Room Temperature Structure | Descriptor: | MALONATE ION, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Hunter, G.J, Trinh, C.H, Hunter, T, Bonetta, R, Stewart, E.E. | Deposit date: | 2014-12-11 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The structure of the Caenorhabditis elegans manganese superoxide dismutase MnSOD-3-azide complex. Protein Sci., 24, 2015
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6QZM
| H30 MnSOD-3 Mutant I | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ... | Authors: | Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T. | Deposit date: | 2019-03-11 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | H30 MnSOD-3 Mutant II To Be Published
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6QZN
| H30 MnSOD-3 Mutant III | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ... | Authors: | Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T. | Deposit date: | 2019-03-11 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | H30 MnSOD-3 Mutant II To Be Published
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5AG2
| SOD-3 azide complex | Descriptor: | ACETATE ION, AZIDE ION, MALONATE ION, ... | Authors: | Hunter, G.J, Trinh, C.H, Bonetta, R, Stewart, E.E, Cabelli, D.E, Hunter, T. | Deposit date: | 2015-01-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Structure of the Caenorhabditis Elegans Manganese Superoxide Dismutase Mnsod-3-Azide Complex. Protein Sci., 24, 2015
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6S0D
| H30 MnSOD-3 Mutant II | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ... | Authors: | Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T. | Deposit date: | 2019-06-14 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | H30 MnSOD-3 Mutant II To Be Published
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6X1V
| Structure of pHis Fab (SC44-8) in complex with pHis mimetic peptide | Descriptor: | 1,2-ETHANEDIOL, ACLYana-3-pTza peptide, SC44-8 Heavy chain, ... | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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6X1T
| Structure of pHis Fab (SC50-3) in complex with pHis mimetic peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kalagiri, R, Stanfield, R.L, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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6X1W
| Structure of pHis Fab (SC56-2) in complex with pHis mimetic peptide | Descriptor: | ACLYana-3-pTza peptide, SC56-2 Heavy chain, SC56-2 Light chain | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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6X1U
| Structure of pHis Fab (SC39-4) in complex with pHis mimetic peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACLYana-3-pTza peptide, ... | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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6X1S
| Structure of pHis Fab (SC1-1) in complex with pHis mimetic peptide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NM23-1-pTza peptide, SC1-1 Heavy chain, ... | Authors: | Kalagiri, R, Stanfield, R.L, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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1PIN
| PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ... | Authors: | Noel, J.P, Ranganathan, R, Hunter, T. | Deposit date: | 1998-06-21 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent. Cell(Cambridge,Mass.), 89, 1997
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1ND7
| Conformational Flexibility Underlies Ubiquitin Ligation Mediated by the WWP1 HECT domain E3 Ligase | Descriptor: | WW domain-containing protein 1 | Authors: | Verdecia, M.A, Joaziero, C.A.P, Wells, N.J, Ferrer, J.-L, Bowman, M.E, Hunter, T, Noel, J.P. | Deposit date: | 2002-12-08 | Release date: | 2003-09-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Flexibility Underlies Ubiquitin Ligation Mediated by the WWP1 HECT domain E3 Ligase Mol.Cell, 11, 2003
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1P15
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1P13
| Crystal Structure of the Src SH2 Domain Complexed with Peptide (SDpYANFK) | Descriptor: | CACODYLATE ION, Peptide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Sonnenburg, E.D, Bilwes, A, Hunter, T, Noel, J.P. | Deposit date: | 2003-04-11 | Release date: | 2003-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The structure of the membrane distal phosphatase domain of RPTPalpha reveals interdomain flexibility and an SH2 domain interaction region. Biochemistry, 42, 2003
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1F8A
| STRUCTURAL BASIS FOR THE PHOSPHOSERINE-PROLINE RECOGNITION BY GROUP IV WW DOMAINS | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, Y(SEP)PT(SEP)S PEPTIDE | Authors: | Verdecia, M.A, Bowman, M.E, Lu, K.P, Hunter, T, Noel, J.P. | Deposit date: | 2000-06-29 | Release date: | 2000-08-23 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for phosphoserine-proline recognition by group IV WW domains. Nat.Struct.Biol., 7, 2000
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1F3H
| X-RAY CRYSTAL STRUCTURE OF THE HUMAN ANTI-APOPTOTIC PROTEIN SURVIVIN | Descriptor: | SULFATE ION, SURVIVIN, ZINC ION | Authors: | Verdecia, M.A, Huang, H, Dutil, E, Hunter, T, Noel, J.P. | Deposit date: | 2000-06-03 | Release date: | 2000-12-06 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of the human anti-apoptotic protein survivin reveals a dimeric arrangement. Nat.Struct.Biol., 7, 2000
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