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
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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
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2GMV
| PEPCK complex with a GTP-competitive inhibitor | Descriptor: | MANGANESE (II) ION, N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE, PHOSPHOENOLPYRUVATE, ... | Authors: | Dunten, P. | Deposit date: | 2006-04-07 | Release date: | 2007-05-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase. Bioorg.Med.Chem.Lett., 17, 2007
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2H3D
| Crystal Structure of Mouse Nicotinamide Phosphoribosyltransferase/Visfatin/Pre-B Cell Colony Enhancing Factor in Complex with Nicotinamide Mononuleotide | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide phosphoribosyltransferase | Authors: | Wang, T, Zhang, X, Bheda, P, Revollo, J.R, Imai, S.I, Wolberger, C. | Deposit date: | 2006-05-22 | Release date: | 2006-06-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Nampt/PBEF/visfatin, a mammalian NAD(+) biosynthetic enzyme. Nat.Struct.Mol.Biol., 13, 2006
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4AP4
| Rnf4 - ubch5a - ubiquitin heterotrimeric complex | Descriptor: | E3 UBIQUITIN LIGASE RNF4, UBIQUITIN C, UBIQUITIN-CONJUGATING ENZYME E2 D1, ... | Authors: | Plechanovova, A, Hay, R.T, Tatham, M.H, Jaffray, E, Naismith, J.H. | Deposit date: | 2012-03-30 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure of a Ring E3 Ligase and Ubiquitin-Loaded E2 Primed for Catalysis Nature, 489, 2012
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3V62
| Structure of the S. cerevisiae Srs2 C-terminal domain in complex with PCNA conjugated to SUMO on lysine 164 | Descriptor: | ATP-dependent DNA helicase SRS2, N-ETHYLMALEIMIDE, Proliferating cell nuclear antigen, ... | Authors: | Armstrong, A.A, Mohideen, F, Lima, C.D. | Deposit date: | 2011-12-18 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recognition of SUMO-modified PCNA requires tandem receptor motifs in Srs2. Nature, 483, 2012
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3ULE
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3UNK
| CDK2 in complex with inhibitor YL5-083 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UX0
| Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Bartel, M, Anders, C, Higuchi, Y, Schumacher, B, Kato, N, Ottmann, C. | Deposit date: | 2011-12-03 | Release date: | 2013-01-02 | Last modified: | 2013-05-01 | Method: | X-RAY DIFFRACTION (1.75 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
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3TE5
| structure of the regulatory fragment of sacchromyces cerevisiae ampk in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-12 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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4AMS
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2KO3
| Nedd8 solution structure | Descriptor: | NEDD8 | Authors: | Choi, Y.S, Jeon, Y.H, Cheong, C. | Deposit date: | 2009-09-09 | Release date: | 2009-11-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 60th residues of ubiquitin and Nedd8 are located out of E2-binding surfaces, but are important for K48 ubiquitin-linkage. Febs Lett., 583, 2009
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2KR0
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3QHR
| Structure of a pCDK2/CyclinA transition-state mimic | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, CHLORIDE ION, ... | Authors: | Young, M.A, Jacobsen, D.M, Bao, Z.Q. | Deposit date: | 2011-01-26 | Release date: | 2011-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis. Structure, 19, 2011
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2KBM
| Ca-S100A1 interacting with TRTK12 | Descriptor: | CALCIUM ION, F-actin-capping protein subunit alpha-2, Protein S100-A1 | Authors: | Wright, N.T, Varney, K.M, Cannon, B.R, Morgan, M, Weber, D.J. | Deposit date: | 2008-12-02 | Release date: | 2009-02-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of Ca-S100A1-TRTK12 To be Published
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3V61
| Structure of S. cerevisiae PCNA conjugated to SUMO on lysine 164 | Descriptor: | BARIUM ION, N-ETHYLMALEIMIDE, Proliferating cell nuclear antigen, ... | Authors: | Armstrong, A.A, Mohideen, F, Lima, C.D. | Deposit date: | 2011-12-18 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recognition of SUMO-modified PCNA requires tandem receptor motifs in Srs2. Nature, 483, 2012
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3Q76
| Structure of human neutrophil elastase (uncomplexed) | Descriptor: | 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, Neutrophil elastase, ... | Authors: | Hansen, G, Niefind, K. | Deposit date: | 2011-01-04 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Unexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor. J.Mol.Biol., 409, 2011
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2H8R
| Hepatocyte Nuclear Factor 1b bound to DNA: MODY5 Gene Product | Descriptor: | 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*G)-3', 5'-D(*GP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3', Hepatocyte nuclear factor 1-beta | Authors: | Lu, P, Rha, G.B, Chi, Y.I. | Deposit date: | 2006-06-07 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of disease-causing mutations in hepatocyte nuclear factor 1beta. Biochemistry, 46, 2007
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2H1E
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3Q68
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3RPR
| CDK2 in complex with inhibitor RC-2-49 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-27 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3RPY
| CDK2 in complex with inhibitor RC-2-40 | Descriptor: | 4-amino-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: | 2011-04-27 | 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
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3RQD
| Ideal Thiolate-Zinc Coordination Geometry in Depsipeptide Binding to Histone Deacetylase 8 | Descriptor: | Histone deacetylase 8, Largazole, POTASSIUM ION, ... | Authors: | Cole, K.E, Dowling, D.P, Christianson, D.W. | Deposit date: | 2011-04-28 | Release date: | 2011-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Structural basis of the antiproliferative activity of largazole, a depsipeptide inhibitor of the histone deacetylases. J.Am.Chem.Soc., 133, 2011
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6IPU
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3R28
| CDK2 in complex with inhibitor KVR-1-140 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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