5OO0
| Cdk2(WT) covalent adduct with D28 at C177 | Descriptor: | Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2017-08-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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4GWO
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3BWG
| The crystal structure of possible transcriptional regulator YydK from Bacillus subtilis subsp. subtilis str. 168 | Descriptor: | 1,2-ETHANEDIOL, Uncharacterized HTH-type transcriptional regulator yydK | Authors: | Tan, K, Zhou, M, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-01-09 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The crystal structure of possible transcriptional regulator YydK from Bacillus subtilis subsp. subtilis str. 168. To be Published
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4M3B
| Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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8ZLD
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9CK0
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9CWN
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3LFS
| Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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4R7A
| Crystal Structure of RBBP4 bound to PHF6 peptide | Descriptor: | GLYCEROL, Histone-binding protein RBBP4, PHD finger protein 6 | Authors: | Liu, Z, Li, F, Zhang, B, Li, S, Wu, J, Shi, Y. | Deposit date: | 2014-08-27 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Plant Homeodomain Finger 6 (PHF6) Recognition by the Retinoblastoma Binding Protein 4 (RBBP4) Component of the Nucleosome Remodeling and Deacetylase (NuRD) Complex J.Biol.Chem., 290, 2015
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5EIZ
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3LFQ
| Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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3LFN
| Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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3LE6
| The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | Descriptor: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2 | Authors: | Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J. | Deposit date: | 2010-01-14 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7KD8
| TtgR C137I I141W M167L F168Y mutant in complex with resveratrol | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | Deposit date: | 2020-10-08 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch. Nat Commun, 12, 2021
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7K1A
| TtgR quadruple mutant (C137I I141W M167L F168Y) | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | Deposit date: | 2020-09-07 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch. Nat Commun, 12, 2021
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4WKM
| AmpR effector binding domain from Citrobacter freundii bound to UDP-MurNAc-pentapeptide | Descriptor: | ALA-FGA-API-DAL-DAL, GLYCEROL, LysR family transcriptional regulator, ... | Authors: | Vadlamani, G, Reeve, T.M, Mark, B.L. | Deposit date: | 2014-10-02 | Release date: | 2014-12-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The beta-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide. J.Biol.Chem., 290, 2015
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7K1C
| TtgR in complex with resveratrol | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | Deposit date: | 2020-09-07 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch. Nat Commun, 12, 2021
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4WVY
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6QDV
| Human post-catalytic P complex spliceosome | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Fica, S.M, Oubridge, C, Wilkinson, M.E, Newman, A.J, Nagai, K. | Deposit date: | 2019-01-03 | Release date: | 2019-02-20 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation. Science, 363, 2019
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7UX2
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3MY5
| CDk2/cyclinA in complex with DRB | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Baumli, S, Johnson, L.N. | Deposit date: | 2010-05-09 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
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8FLA
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8FL7
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8FLE
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8FLB
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