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3R8V	CDK2 in complex with inhibitor RC-1-135 Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-24 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3SML	Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A aglycone, ... Authors: Anders, C, Schumacher, B, Ottmann, C. Deposit date: 2011-06-28 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
3R8Z	CDK2 in complex with inhibitor RC-1-136 Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-24 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3R1Y	CDK2 in complex with inhibitor KVR-1-134 Descriptor: 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-11 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3RAI	CDK2 in complex with inhibitor KVR-1-160 Descriptor: 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-28 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3R7Y	CDK2 in complex with inhibitor KVR-2-88 Descriptor: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-23 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3R8U	CDK2 in complex with inhibitor RC-1-132 Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-24 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3R9O	CDK2 in complex with inhibitor RC-2-143 Descriptor: 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-25 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3RK9	CDK2 in complex with inhibitor RC-2-74 Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-04-17 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3OOB	Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate Descriptor: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z. Deposit date: 2010-08-30 Release date: 2011-08-17 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1. Cancer Prev Res (Phila), 4, 2011
3SMM	Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ... Authors: Anders, C, Schumacher, B, Ottmann, C. Deposit date: 2011-06-28 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
3SMK	Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A Descriptor: 14-3-3 protein sigma, Cotylenin A, MAGNESIUM ION, ... Authors: Anders, C, Schumacher, B, Ottmann, C. Deposit date: 2011-06-28 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
3SMN	Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... Authors: Anders, C, Schumacher, B, Ottmann, C. Deposit date: 2011-06-28 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
3OJ4	Crystal structure of the A20 ZnF4, ubiquitin and UbcH5A complex Descriptor: Tumor necrosis factor alpha-induced protein 3, Ubiquitin, Ubiquitin-conjugating enzyme E2 D1, ... Authors: Bosanac, I, Hymowitz, S.G. Deposit date: 2010-08-20 Release date: 2010-12-08 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Ubiquitin Binding to A20 ZnF4 Is Required for Modulation of NF-κB Signaling Mol.Cell, 40, 2010
3T0L	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Descriptor: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... Authors: Thiel, P, Ottmann, C. Deposit date: 2011-07-20 Release date: 2012-12-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
3T0M	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Descriptor: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... Authors: Thiel, P, Ottmann, C. Deposit date: 2011-07-20 Release date: 2012-12-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
3SQQ	CDK2 in complex with inhibitor RC-3-96 Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-07-06 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3SW4	Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor Descriptor: ACETATE ION, Cyclin-dependent kinase 2, N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine Authors: Kang, Y.N, Stuckey, J.A. Deposit date: 2011-07-13 Release date: 2012-08-01 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structure of the CDK2 in complex with a thiazolylpyrimidine inhibitor To be Published
3T9Q	Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis (Mn presoaked) Descriptor: MANGANESE (II) ION, Stage II sporulation protein E, beta-D-gulopyranose Authors: Levdikov, V.M, Blagova, E.V, Wilkinson, A.J. Deposit date: 2011-08-03 Release date: 2011-12-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis. J.Mol.Biol., 415, 2012
3SP5	Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol Descriptor: 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ... Authors: Anders, C, Schumacher, B, Ottmann, C. Deposit date: 2011-07-01 Release date: 2016-05-04 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem.Biol., 20, 2013
3SPR	Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ... Authors: Anders, C, Schumacher, B, Ottmann, C. Deposit date: 2011-07-03 Release date: 2012-07-04 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.99 Å) Cite: A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
1AU7	PIT-1 MUTANT/DNA COMPLEX Descriptor: CONSENSUS DNA 25-MER, DNA (5'-D(*CP*TP*TP*CP*CP*TP*CP*AP*TP*GP*TP*AP*TP*AP*TP*AP*C P*AP*TP*GP*AP*GP* GP*A)-3'), PROTEIN PIT-1 Authors: Jacobson, E.M, Li, P, Leon-Del-Rio, A, Rosenfeld, M.G, Aggarwal, A.K. Deposit date: 1997-09-12 Release date: 1998-01-28 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of Pit-1 POU domain bound to DNA as a dimer: unexpected arrangement and flexibility. Genes Dev., 11, 1997
2Q5A	human Pin1 bound to L-PEPTIDE Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Five residue peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Noel, J.P, Zhang, Y. Deposit date: 2007-05-31 Release date: 2007-06-26 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural basis for high-affinity peptide inhibition of human Pin1. Acs Chem.Biol., 2, 2007
1AX8	Human obesity protein, leptin Descriptor: OBESITY PROTEIN Authors: Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W. Deposit date: 1997-10-31 Release date: 1998-11-25 Last modified: 2012-05-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of the obese protein leptin-E100. Nature, 387, 1997
4BFP	Crystal structure of human tankyrase 2 in complex with WIKI4 Descriptor: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione, SULFATE ION, TANKYRASE-2, ... Authors: Haikarainen, T, Narwal, M, Lehtio, L. Deposit date: 2013-03-21 Release date: 2013-06-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural Basis and Selectivity of Tankyrase Inhibition by a Wnt Signaling Inhibitor Wiki4 Plos One, 8, 2013

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