Author results

1GZ8
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-AMINO-6-(3'-METHYL-2'-OXO)BUTOXYPURINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL
Authors:Davies, T., Endicott, J., Johnson, L., Noble, M., Tucker, J.
Deposit date:2002-05-17
Release date:2003-06-12
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
2BGD
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
Descriptor:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, ...
Authors:Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BGE
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
Descriptor:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
Authors:Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BAL
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P38ALPHA MAP KINASE BOUND TO PYRAZOLOAMINE
Descriptor:Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Authors:Gerhardt, S., Pauptit, R.A., Read, J., Tucker, J., Norman, R.A., Breed, J.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAQ
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P38ALPHA BOUND TO RO3201195
Descriptor:Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Gerhardt, S., Pauptit, R.A., Breed, J., Read, J., Tucker, J., Norman, R.A.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2CJM
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MECHANISM OF CDK INHIBITION BY ACTIVE SITE PHOSPHORYLATION: CDK2 Y15P T160P IN COMPLEX WITH CYCLIN A STRUCTURE
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Welburn, J.P.I., Tucker, J., Johnson, T., Lindert, L., Morgan, M., Willis, A., Noble, M.E.M., Endicott, J.A.
Deposit date:2006-04-05
Release date:2006-04-24
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How Tyrosine 15 Phosphorylation Inhibits the Activity of Cyclin-Dependent Kinase 2-Cyclin A.
J.Biol.Chem., 282, 2007
2GJ4
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STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH LIGAND
Descriptor:Glycogen phosphorylase, muscle form, SULFATE ION, ...
Authors:Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Rowsell, S., Pauptit, R.A., Claire, M.
Deposit date:2006-03-30
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2GM9
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STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH THIENOPYRROLE
Descriptor:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
Authors:Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Minshull, C., Rowsell, S., Pauptit, R.A.
Deposit date:2006-04-06
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
4ACC
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GSK3B IN COMPLEX WITH INHIBITOR
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, DIMETHYL SULFOXIDE, 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
Authors:Xue, Y., Ormo, M.
Deposit date:2011-12-14
Release date:2012-05-16
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACD
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GSK3B IN COMPLEX WITH INHIBITOR
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
Authors:Xue, Y., Ormo, M.
Deposit date:2011-12-15
Release date:2012-05-16
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACG
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GSK3B IN COMPLEX WITH INHIBITOR
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE
Authors:Xue, Y., Ormo, M.
Deposit date:2011-12-15
Release date:2012-05-16
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACH
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GSK3B IN COMPLEX WITH INHIBITOR
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE
Authors:Xue, Y., Ormo, M.
Deposit date:2011-12-15
Release date:2012-05-16
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACM
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CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
Descriptor:CYCLIN-DEPENDENT KINASE 2, GLYCEROL, 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
Authors:Berg, S., Bhat, R., Anderson, M., Bergh, M., Brassington, C., Hellberg, S., Jerning, E., Hogdin, K., Lo-Alfredsson, Y., Neelissen, J., Nilsson, Y., Ormo, M., Soderman, P., Stanway, J., Tucker, J., von Berg, S., Weigelt, T., Xue, Y.
Deposit date:2011-12-16
Release date:2012-05-16
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4EYJ
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MAPK13 COMPLEX WITH INHIBITOR
Descriptor:Mitogen-activated protein kinase 13, 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea
Authors:Miller, C.A., Brett, T.J.
Deposit date:2012-05-01
Release date:2012-12-19
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:IL-13-induced airway mucus production is attenuated by MAPK13 inhibition.
J.Clin.Invest., 122, 2012
4EYM
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MAPK13 COMPLEX WITH INHIBITOR
Descriptor:Mitogen-activated protein kinase 13, 2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide
Authors:Miller, C.A., Brett, T.J.
Deposit date:2012-05-01
Release date:2012-12-19
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:IL-13-induced airway mucus production is attenuated by MAPK13 inhibition.
J.Clin.Invest., 122, 2012
4MB9
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STRUCTURE OF STREPTOCOCCUS PNEUMONIA PARE IN COMPLEX WITH AZ13102335
Descriptor:DNA topoisomerase IV, B subunit, SULFATE ION, ...
Authors:Ogg, D., Tucker, J.
Deposit date:2013-08-19
Release date:2013-10-16
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4MBC
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STRUCTURE OF STREPTOCOCCUS PNEUMONIA PARE IN COMPLEX WITH AZ13053807
Descriptor:DNA topoisomerase IV, B subunit, 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea
Authors:Ogg, D., Tucker, J.
Deposit date:2013-08-19
Release date:2013-10-16
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4NK9
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CRYSTAL STRUCTURE OF HUMAN FIBROBLAST GROWTH FACTOR RECEPTOR 1 KINASE DOMAIN IN COMPLEX WITH PYRAZOLAMINOPYRIMIDINE 1
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Norman, R.A., Klein, T.
Deposit date:2013-11-12
Release date:2013-12-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NKA
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CRYSTAL STRUCTURE OF HUMAN FIBROBLAST GROWTH FACTOR RECEPTOR 1 KINASE DOMAIN IN COMPLEX WITH PYRAZOLAMINOPYRIMIDINE 2
Descriptor:Fibroblast growth factor receptor 1, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Norman, R.A., Klein, T.
Deposit date:2013-11-12
Release date:2013-12-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NKS
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CRYSTAL STRUCTURE OF HUMAN FIBROBLAST GROWTH FACTOR RECEPTOR 1 KINASE DOMAIN IN COMPLEX WITH PYRAZOLAMINOPYRIMIDINE 3
Descriptor:Fibroblast growth factor receptor 1, N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
Authors:Norman, R.A., Klein, T.
Deposit date:2013-11-13
Release date:2013-12-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4UXQ
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FGFR4 IN COMPLEX WITH PONATINIB
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 4, SULFATE ION, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Authors:Tucker, J., Klein, T., Breed, J., Breeze, A., Overman, R., Phillips, C., Norman, R.A.
Deposit date:2014-08-27
Release date:2014-12-03
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4V01
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FGFR1 IN COMPLEX WITH PONATINIB (CO-CRYSTALLISATION).
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ISOFORM CRA_B, ...
Authors:Tucker, J., Klein, T., Breed, J., Breeze, A., Overman, R., Phillips, C., Norman, R.A.
Deposit date:2014-09-10
Release date:2014-12-10
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4V04
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FGFR1 IN COMPLEX WITH PONATINIB.
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ISOFORM CRA_B, ...
Authors:Tucker, J., Klein, T., Breed, J., Breeze, A., Overman, R., Phillips, C., Norman, R.A.
Deposit date:2014-09-10
Release date:2014-12-10
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4V05
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FGFR1 IN COMPLEX WITH AZD4547.
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ISOFORM CRA_B, ...
Authors:Tucker, J., Klein, T., Breed, J., Breeze, A., Overman, R., Phillips, C., Norman, R.A.
Deposit date:2014-09-10
Release date:2014-12-10
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4UNP
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MTB TMK IN COMPLEX WITH COMPOUND 34
Descriptor:THYMIDYLATE KINASE, 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one
Authors:Read, J.A., Hussein, S., Gingell, H., Tucker, J.
Deposit date:2014-05-30
Release date:2015-01-14
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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