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5TR6
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DISCOVERY OF TAK-659, AN ORALLY AVAILABLE INVESTIGATIONAL INHIBITOR OF SPLEEN TYROSINE KINASE (SYK)
Descriptor:Tyrosine-protein kinase SYK, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, 1,2-ETHANEDIOL
Authors:Yano, J., Jennings, A., Lam, B., Hoffman, I.D.
Deposit date:2016-10-25
Release date:2016-11-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
5TT7
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DISCOVERY OF TAK-659, AN ORALLY AVAILABLE INVESTIGATIONAL INHIBITOR OF SPLEEN TYROSINE KINASE (SYK)
Descriptor:Tyrosine-protein kinase SYK, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
Authors:Yano, J., Jennings, A., Lam, B., Hoffman, I.D.
Deposit date:2016-11-01
Release date:2016-11-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
4G1F
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A PYRIDOPYRIMIDINEDIONE ANALOGUE
Descriptor:Dipeptidyl peptidase 4, 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, N-ACETYL-D-GLUCOSAMINE
Authors:Skene, R.J., Gwaltney, S.L.
Deposit date:2012-07-10
Release date:2013-02-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3C4C
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B-RAF KINASE IN COMPLEX WITH PLX4720
Descriptor:B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
Authors:Zhang, K.Y.J., Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C4E
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PIM-1 KINASE DOMAIN IN COMPLEX WITH 3-AMINOPHENYL-7-AZAINDOLE
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
Authors:Zhang, K.Y.J., Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C4F
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FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-METHOXYBENZYL)-7-AZAINDOLE
Descriptor:Basic fibroblast growth factor receptor 1, 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine
Authors:Zhang, K.Y.J., Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
4J52
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CRYSTAL STRUCTURE OF PLK1 IN COMPLEX WITH A PYRIMIDODIAZEPINONE INHIBITOR
Descriptor:Serine/threonine-protein kinase PLK1, 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ZINC ION, ...
Authors:Hosfield, D.J., Skene, R.J.
Deposit date:2013-02-07
Release date:2013-05-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
4J53
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CRYSTAL STRUCTURE OF PLK1 IN COMPLEX WITH TAK-960
Descriptor:Serine/threonine-protein kinase PLK1, ZINC ION, ACETATE ION, ...
Authors:Hosfield, D.J., Skene, R.J.
Deposit date:2013-02-07
Release date:2013-05-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
5TA6
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CRYSTAL STRUCTURE OF PLK1 IN COMPLEX WITH A NOVEL 5,6-DIHYDROIMIDAZOLO[1,5-F]PTERIDINE INHIBITOR.
Descriptor:Serine/threonine-protein kinase PLK1, 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZINC ION
Authors:Skene, R.J., Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5TA8
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CRYSTAL STRUCTURE OF PLK1 IN COMPLEX WITH A NOVEL 5,6-DIHYDROIMIDAZOLO[1,5-F]PTERIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase PLK1, ZINC ION, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Authors:Skene, R.J., Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017