Author results

4URU
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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
4UCO
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCT
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCU
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 8-hydroxyquinoline-2-carboxylic acid, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCV
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
5FSI
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MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH 8-OXO-DGTP.
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
Authors:Nissink, J.W.M., Bista, M., Breed, J., Carter, N., Embrey, K., Read, J., Phillips, C., Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-11
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSK
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MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH 8-OXO-DGTP.
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION
Authors:Nissink, J.W.M., Bista, M., Breed, J., Carter, N., Embrey, K., Read, J., Phillips, C., Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSL
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MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A METHYLAMINOPURINONE
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE, SULFATE ION
Authors:Nissink, J.W.M., Bista, M., Breed, J., Carter, N., Embrey, K., Read, J., Phillips, C., Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSM
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MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A METHYLBENZIMIDAZOLYL ACETAMIDE.
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, N-(1-METHYLBENZIMIDAZOL-5-YL)ACETAMIDE, ...
Authors:Nissink, J.W.M., Bista, M., Breed, J., Carter, N., Embrey, K., Read, J., Phillips, C., Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSN
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MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A AMINOMETHYLPYRIMIDINYL OXYPROPANOL.
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, ACETATE ION, ...
Authors:Nissink, J.W.M., Bista, M., Breed, J., Carter, N., Embrey, K., Read, J., Phillips, C., Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSO
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MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A METHYLAMINOPYRIMIDINEDIONE.
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, ...
Authors:Nissink, J.W.M., Bista, M., Breed, J., Carter, N., Embrey, K., Read, J., Phillips, C., Winter, J.J.
Deposit date:2016-01-06
Release date:2017-01-18
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
6H46
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HUMAN KRAS IN COMPLEX WITH DARPIN K13
Descriptor:GTPase KRas, darpin K13, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Debreczeni, J.E., Bery, N., Legg, S., Breed, J., Embrey, K., Stubbs, C., Kolasinska-Zwierz, P., Barrett, N., Marwood, R., Watson, J., Tart, J., Overman, R., Miller, A., Phillips, C., Minter, R., Rabbitts, T.H.
Deposit date:2018-07-20
Release date:2019-04-24
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Nat Commun, 10, 2019
6H47
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HUMAN KRAS IN COMPLEX WITH DARPIN K19
Descriptor:GTPase KRas, darpin K19, SULFATE ION
Authors:Debreczeni, J.E., Bery, N., Legg, S., Breed, J., Embrey, K., Stubbs, C., Kolasinska-Zwierz, P., Barrett, N., Marwood, R., Watson, J., Tart, J., Overman, R., Miller, A., Phillips, C., Minter, R., Rabbitts, T.H.
Deposit date:2018-07-20
Release date:2019-04-24
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Nat Commun, 10, 2019
4URV
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, FORMIC ACID, ...
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URW
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URX
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 6-bromo-1H-indole, ...
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URY
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URZ
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 1-[(4-aminophenyl)sulfonyl]piperidin-2-one
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US0
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, N-ETHYLMALEIMIDE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US1
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US2
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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