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2Z7Q
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CRYSTAL STRUCTURE OF THE N-TERMINAL KINASE DOMAIN OF HUMAN RSK-1 BOUND TO AMP-PCP
Descriptor:Ribosomal protein S6 kinase alpha-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Ikuta, M., Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (2 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
2Z7R
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CRYSTAL STRUCTURE OF THE N-TERMINAL KINASE DOMAIN OF HUMAN RSK1 BOUND TO STAUROSPORINE
Descriptor:Ribosomal protein S6 kinase alpha-1, STAUROSPORINE
Authors:Ikuta, M., Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 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
2Z7S
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CRYSTAL STRUCTURE OF THE N-TERMINAL KINASE DOMAIN OF HUMAN RSK1 BOUND TO PURVALNOL A
Descriptor:Ribosomal protein S6 kinase alpha-1, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Authors:Ikuta, M., Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2011-07-13
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
1GIH
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA
Authors:Ikuta, M., Nishimura, S.
Deposit date:2001-02-06
Release date:2002-02-06
Last modified:2011-07-13
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
1GII
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA
Authors:Ikuta, M., Nishimura, S.
Deposit date:2001-02-06
Release date:2002-02-06
Last modified:2011-07-13
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
1GIJ
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 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
Authors:Ikuta, M., Nishimura, S.
Deposit date:2001-02-06
Release date:2002-02-06
Last modified:2011-07-13
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
2DS1
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR
Descriptor:Cell division protein kinase 2, (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
Authors:Ikuta, M.
Deposit date:2006-06-17
Release date:2007-06-19
Last modified:2011-07-13
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
1HLV
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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:2011-07-13
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
2HOG
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 20
Descriptor:Serine/threonine-protein kinase Chk1, (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL
Authors:Yan, Y., Ikuta, M.
Deposit date:2006-07-14
Release date:2007-04-24
Last modified:2011-07-13
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
2R0U
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 54
Descriptor:Serine/threonine-protein kinase Chk1, 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
Authors:Yan, Y., Ikuta, M.
Deposit date:2007-08-21
Release date:2007-10-30
Last modified:2011-07-13
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
3A60
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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:2011-07-13
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
3A61
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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:2011-07-13
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
3A62
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CRYSTAL STRUCTURE OF PHOSPHORYLATED P70S6K1
Descriptor:Ribosomal protein S6 kinase beta-1, STAUROSPORINE, MANGANESE (II) ION
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:2011-07-13
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
3TKH
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CRYSTAL STRUCTURE OF CHK1 IN COMPLEX WITH INHIBITOR S01
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
Authors:Yan, Y., Ikuta, M.
Deposit date:2011-08-26
Release date:2012-04-11
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
3TKI
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CRYSTAL STRUCTURE OF CHK1 IN COMPLEX WITH INHIBITOR S25
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
Authors:Yan, Y., Ikuta, M.
Deposit date:2011-08-26
Release date:2012-04-11
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
2HXL
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 1
Descriptor:Serine/threonine-protein kinase Chk1, 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE
Authors:Yan, Y.
Deposit date:2006-08-03
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HXQ
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 2
Descriptor:Serine/threonine-protein kinase Chk1, 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE
Authors:Yan, Y.
Deposit date:2006-08-03
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HY0
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 22
Descriptor:Serine/threonine-protein kinase Chk1, 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE
Authors:Yan, Y.
Deposit date:2006-08-04
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2QHM
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 2A
Descriptor:Serine/threonine-protein kinase Chk1, (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
Authors:Yan, Y., Munshi, S.
Deposit date:2007-07-02
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QHN
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 1A
Descriptor:Serine/threonine-protein kinase Chk1, 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE
Authors:Yan, Y., Munshi, S.
Deposit date:2007-07-02
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3F9N
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CRYSTAL STRUCTURE OF CHK1 KINASE IN COMPLEX WITH INHIBITOR 38
Descriptor:Serine/threonine-protein kinase Chk1, 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION
Authors:Yan, Y., Munshi, S., Ikuta, M.
Deposit date:2008-11-14
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of thioquinazolinones, allosteric Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009