Author results

3QCQ
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 6-(3-AMINO-1H-INDAZOL-6-YL)-N4-ETHYL-2,4-PYRIMIDINEDIAMINE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCS
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 6-[2-AMINO-6-(4-MORPHOLINYL)-4-PYRIMIDINYL]-1H-INDAZOL-3-AMINE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCX
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 6-{2-AMINO-6-[(3R)-3-METHYL-4-MORPHOLINYL]-4-PYRIMIDINYL}-1H-INDAZOL-3-AMINE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCY
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 4-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-N-PHENYL-2-MORPHOLINECARBOXAMIDE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD0
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH (2R,5S)-1-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-6-METHYL-N-PHENYL-3-PIPERIDINECARBOXAMIDE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD3
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 1,1-DIMETHYLETHYL {(3R,6S)-1-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-6-METHYL-3-PIPERIDINYL}CARBAMATE
Descriptor:3-phosphoinositide-dependent protein kinase 1, tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD4
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 1,1-DIMETHYLETHYL{(3R,5R)-1-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-5-METHYL-3-PIPERIDINYL}CARBAMATE
Descriptor:3-phosphoinositide-dependent protein kinase 1, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate, SULFATE ION
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3EKK
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INSULIN RECEPTOR KINASE COMPLEXED WITH AN INHIBITOR
Descriptor:Insulin receptor, 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide
Authors:Chamberlain, S., Atkins, C., Deanda, F., Dumble, M., Gerding, R., Groy, A., Korenchuk, S., Kumar, R., Lei, H., Mook, R., Moorthy, G., Redman, A., Rowland, J., Sabbatini, P., Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3EKN
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INSULIN RECEPTOR KINASE COMPLEXED WITH AN INHIBITOR
Descriptor:Insulin receptor, 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
Authors:Chamberlain, S., Atkins, C., Deanda, F., Dumble, M., Gerding, R., Groy, A., Korenchuk, S., Kumar, R., Lei, H., Mook, R., Moorthy, G., Redman, A., Rowland, J., Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
3ELJ
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JNK1 COMPLEXED WITH A BIS-ANILINO-PYRROLOPYRIMIDINE INHIBITOR.
Descriptor:Mitogen-activated protein kinase 8, 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
Authors:Chamberlain, S., Atkins, C., Deanda, F., Dumble, M., Gerding, R., Groy, A., Korenchuk, S., Kumar, R., Lei, H., Mook, R., Moorthy, G., Redman, A., Rowland, J., Shewchuk, L., Vicentini, G., Mosley, J.
Deposit date:2008-09-22
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009