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4ISE
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL ACTIVATOR (2S)-3-CYCLOHEXYL-2-(6-FLUORO-4-OXOQUINAZOLIN-3(4H)-YL)-N-(1,3-THIAZOL-2-YL)PROPANAMIDE
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, ...
Authors:Hosfield, D., Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4ISF
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL ACTIVATOR (2S)-3-CYCLOHEXYL-2-(6-FLUORO-2,4-DIOXO-1,4-DIHYDROQUINAZOLIN-3(2H)-YL)-N-(1,3-THIAZOL-2-YL)PROPANAMIDE
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide, ...
Authors:Hosfield, D., Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4ISG
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL ACTIVATOR (2S)-3-CYCLOHEXYL-2-[4-(METHYLSULFONYL)-2-OXOPIPERAZIN-1-YL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide, ...
Authors:Hosfield, D., Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
3IPQ
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X-RAY STRUCTURE OF GW3965 SYNTHETIC AGONIST BOUND TO THE LXR-ALPHA
Descriptor:Oxysterols receptor LXR-alpha, Nuclear receptor coactivator 1, [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid, ...
Authors:Fradera, X., Vu, D., Nimz, O., Skene, R., Hosfield, D., Wijnands, R., Cooke, A.J., Haunso, A., King, A., Bennet, D.J., McGuire, R., Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3IPS
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X-RAY STRUCTURE OF BENZISOXAZOLE SYNTHETIC AGONIST BOUND TO THE LXR-ALPHA
Descriptor:Oxysterols receptor LXR-alpha, Nuclear receptor coactivator 1, SULFATE ION, ...
Authors:Fradera, X., Vu, D., Nimz, O., Skene, R., Hosfield, D., Wijnands, R., Cooke, A.J., Haunso, A., King, A., Bennet, D.J., McGuire, R., Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3IPU
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X-RAY STRUCTURE OF BENZISOXAZOLE UREA SYNTHETIC AGONIST BOUND TO THE LXR-ALPHA
Descriptor:Oxysterols receptor LXR-alpha, Nuclear receptor coactivator 1, 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, ...
Authors:Fradera, X., Vu, D., Nimz, O., Skene, R., Hosfield, D., Wijnands, R., Cooke, A.J., Haunso, A., King, A., Bennet, D.J., McGuire, R., Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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
5V4W
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL INDAZOLE ACTIVATOR.
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, ...
Authors:Skene, R.J., Hosfield, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
5V4X
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL PYRAZOLE ACTIVATOR.
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, ...
Authors:Skene, R.J., Hosfiled, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017