Author results

4ZSG
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MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor:Mitogen-activated protein kinase 7, GLYCEROL, 3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Authors:Tucker, J., Ogg, D.J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
4ZSJ
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MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor:Mitogen-activated protein kinase 7, GLYCEROL, 3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Authors:Tucker, J., Ogg, D.J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
5LHB
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POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017262
Descriptor:Poly(ADP-ribose) glycohydrolase, 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione, SULFATE ION, ...
Authors:Tucker, J., Barkauskaite, E.
Deposit date:2016-07-10
Release date:2016-10-12
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib.
ACS Chem. Biol., 11, 2016
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:2015-09-16
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
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
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
4ZSL
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MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor:Mitogen-activated protein kinase 7, 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL
Authors:Ogg, D.J., Tucker, J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
5BYY
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ERK5 IN COMPLEX WITH SMALL MOLECULE
Descriptor:Mitogen-activated protein kinase 7, 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Authors:Chen, H., Tucker, J., Wang, X., Gavine, P.R., Philips, C., Augustin, M.A., Schreiner, P., Steinbacher, S., Preston, M., Ogg, D.
Deposit date:2015-06-11
Release date:2016-05-04
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
5BYZ
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ERK5 IN COMPLEX WITH SMALL MOLECULE
Descriptor:Mitogen-activated protein kinase 7, 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL
Authors:Chen, H., Tucker, J., Wang, X., Gavine, P.R., Philips, C., Augustin, M.A., Schreiner, P., Steinbacher, S., Preston, M., Ogg, D.
Deposit date:2015-06-11
Release date:2016-05-04
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
5N53
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH N-(3-CHLORO-4-METHOXYPHENYL) ACETAMIDE
Descriptor:D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-02-12
Release date:2017-04-05
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5N6C
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH NAD AND L-TARTRATE
Descriptor:D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Unterlass, J.E., Basle, A., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-02-14
Release date:2017-11-22
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
5NZO
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 1-METHYL-3-PHENYL-1H-PYRAZOL-5-AMINE
Descriptor:D-3-phosphoglycerate dehydrogenase, 2-methyl-5-phenyl-pyrazol-3-amine
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZP
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 3-HYDROXYBENZISOXAZOLE
Descriptor:D-3-phosphoglycerate dehydrogenase, 1,2-benzoxazol-3-ol
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZQ
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 3-(1,3-OXAZOL-5-YL)ANILINE.
Descriptor:D-3-phosphoglycerate dehydrogenase, 3-(1,3-oxazol-5-yl)aniline
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFV
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 5-FLUORO-2-METHYLBENZOIC ACID
Descriptor:D-3-phosphoglycerate dehydrogenase, 5-fluoranyl-2-methyl-benzoic acid
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFW
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 3-CHLORO-4-FLUOROBENZAMIDE
Descriptor:D-3-phosphoglycerate dehydrogenase, 3-chloranyl-4-fluoranyl-benzamide
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFM
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CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 5-AMINO-1-METHYL-1H-INDOLE
Descriptor:D-3-phosphoglycerate dehydrogenase, 1-methylindol-5-amine
Authors:Unterlass, J.E., Basle, A., Blackburn, T.J., Tucker, J., Cano, C., Noble, M.E.M., Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
To be published
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
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
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
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