2Z7R
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2Z7Q
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2Z7S
| Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A | Descriptor: | 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Ribosomal protein S6 kinase alpha-1 | Authors: | Ikuta, M, Munshi, S.K. | Deposit date: | 2007-08-28 | Release date: | 2008-05-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors. Protein Sci., 16, 2007
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1GIJ
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | Descriptor: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA, CELL DIVISION PROTEIN KINASE 2 | Authors: | Ikuta, M, Nishimura, S. | Deposit date: | 2001-02-06 | Release date: | 2002-02-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J.Biol.Chem., 276, 2002
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1GII
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | Descriptor: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2 | Authors: | Ikuta, M, Nishimura, S. | Deposit date: | 2001-02-06 | Release date: | 2002-02-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J.Biol.Chem., 276, 2001
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1GIH
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | Descriptor: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2 | Authors: | Ikuta, M, Nishimura, S. | Deposit date: | 2001-02-06 | Release date: | 2002-02-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J.Biol.Chem., 276, 2001
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2DS1
| Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor | Descriptor: | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25 ),18,20-HEPTAENE-23,26-DIONE, Cell division protein kinase 2 | Authors: | Ikuta, M. | Deposit date: | 2006-06-17 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure Bioorg.Med.Chem.Lett., 16, 2006
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3TKH
| Crystal structure of Chk1 in complex with inhibitor S01 | Descriptor: | 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2011-08-26 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg.Med.Chem.Lett., 22, 2012
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3TKI
| Crystal structure of Chk1 in complex with inhibitor S25 | Descriptor: | N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2011-08-26 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg.Med.Chem.Lett., 22, 2012
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2R0U
| Crystal Structure of Chek1 in Complex with Inhibitor 54 | Descriptor: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2007-08-21 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase. Bioorg.Med.Chem.Lett., 17, 2007
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3A61
| Crystal structure of unphosphorylated p70S6K1 (Form II) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3A60
| Crystal structure of unphosphorylated p70S6K1 (Form I) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-17 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3A62
| Crystal structure of phosphorylated p70S6K1 | Descriptor: | MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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1HLV
| CRYSTAL STRUCTURE OF CENP-B(1-129) COMPLEXED WITH THE CENP-B BOX DNA | Descriptor: | CENP-B BOX DNA, MAJOR CENTROMERE AUTOANTIGEN B | Authors: | Tanaka, Y, Nureki, O, Kurumizaka, H, Fukai, S, Kawaguchi, S, Ikuta, M, Iwahara, J, Okazaki, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2000-12-04 | Release date: | 2002-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the CENP-B protein-DNA complex: the DNA-binding domains of CENP-B induce kinks in the CENP-B box DNA. EMBO J., 20, 2001
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2HOG
| crystal structure of Chek1 in complex with inhibitor 20 | Descriptor: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2006-07-14 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6. Bioorg.Med.Chem.Lett., 16, 2006
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3F9N
| Crystal structure of chk1 kinase in complex with inhibitor 38 | Descriptor: | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Munshi, S, Ikuta, M. | Deposit date: | 2008-11-14 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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