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5EH0
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine, DIMETHYL SULFOXIDE
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-27
Release date:2016-04-20
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
5EHL
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-28
Release date:2016-11-09
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
5EHO
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine, DIMETHYL SULFOXIDE
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-28
Release date:2016-11-09
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
5EHY
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ...
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-29
Release date:2016-04-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
5EI2
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-29
Release date:2016-04-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
5EI6
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine, DIMETHYL SULFOXIDE
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-29
Release date:2016-04-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
5EI8
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RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH
Descriptor:Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine, DIMETHYL SULFOXIDE
Authors:Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
Deposit date:2015-10-29
Release date:2016-04-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
4C4E
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STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, PENTAETHYLENE GLYCOL, ...
Authors:Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
4C4F
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STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ...
Authors:Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
4C4G
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STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ...
Authors:Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
4C4H
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STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Authors:Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
4C4I
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STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Authors:Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
4C4J
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STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
Authors:Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
5AP0
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.J., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R.L.M., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP1
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, GLYCEROL, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.J., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R.L.M., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP2
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.J., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R.L.M., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP3
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.J., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R.L.M., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP4
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.J., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R.L.M., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP5
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, (2-hydroxyethoxy)acetaldehyde, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.J., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R.L.M., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP6
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE, 1,2-ETHANEDIOL, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.M., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AP7
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NATURALLY OCCURRING MUTATIONS IN THE MPS1 GENE PREDISPOSE CELLS TO KINASE INHIBITOR DRUG RESISTANCE.
Descriptor:MONOPOLAR SPINDLE KINASE 1, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, ...
Authors:Gurden, M.D., Westwood, I.M., Faisal, A., Naud, S., Cheung, K.M., McAndrew, C., Wood, A., Schmitt, J., Boxall, K., Mak, G., Workman, P., Burke, R., Hoelder, S., Blagg, J., van Montfort, R., Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
4A9R
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CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, ...
Authors:Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.
Deposit date:2011-11-28
Release date:2012-10-10
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography
Bioorg.Med.Chem., 20, 2012
4A9S
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CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
Authors:Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.
Deposit date:2011-11-28
Release date:2012-10-10
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography.
Bioorg.Med.Chem., 20, 2012
4A9T
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CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, 2-(4-{[1-(4-CHLOROBENZYL)PIPERIDIN-4-YL]METHOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXAMIDE, NITRATE ION, ...
Authors:Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.
Deposit date:2011-11-28
Release date:2012-10-10
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography.
Bioorg.Med.Chem., 20, 2012
4A9U
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CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 1,2-ETHANEDIOL, ...
Authors:Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.
Deposit date:2011-11-28
Release date:2012-10-10
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography
Bioorg.Med.Chem., 20, 2012