Author results

2YM3
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, 1,2-ETHANEDIOL
Authors:Reader, J.C., Matthews, T.P., Klair, S., Cheung, K.M.J., Scanlon, J., Proisy, N., Addison, G., Ellard, J., Piton, N., Taylor, S., Cherry, M., Fisher, M., Boxall, K., Burns, S., Walton, M.I., Westwood, I.M., Hayes, A., Eve, P., Valenti, M., Brandon, A.H., Box, G., vanMontfort, R.L.M., Williams, D.H., Aherne, G.W., Raynaud, F.I., Eccles, S.A., Garrett, M.D., Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM4
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, 1,2-ETHANEDIOL
Authors:Reader, J.C., Matthews, T.P., Klair, S., Cheung, K.M.J., Scanlon, J., Proisy, N., Addison, G., Ellard, J., Piton, N., Taylor, S., Cherry, M., Fisher, M., Boxall, K., Burns, S., Walton, M.I., Westwood, I.M., Hayes, A., Eve, P., Valenti, M., Brandon, A.H., Box, G., vanMontfort, R.L.M., Williams, D.H., Aherne, G.W., Raynaud, F.I., Eccles, S.A., Garrett, M.D., Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM5
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL
Authors:Reader, J.C., Matthews, T.P., Klair, S., Cheung, K.M.J., Scanlon, J., Proisy, N., Addison, G., Ellard, J., Piton, N., Taylor, S., Cherry, M., Fisher, M., Boxall, K., Burns, S., Walton, M.I., Westwood, I.M., Hayes, A., Eve, P., Valenti, M., Brandon, A.H., Box, G., vanMontfort, R.L.M., Williams, D.H., Aherne, G.W., Raynaud, F.I., Eccles, S.A., Garrett, M.D., Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM6
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, 1,2-ETHANEDIOL
Authors:Reader, J.C., Matthews, T.P., Klair, S., Cheung, K.M.J., Scanlon, J., Proisy, N., Addison, G., Ellard, J., Piton, N., Taylor, S., Cherry, M., Fisher, M., Boxall, K., Burns, S., Walton, M.I., Westwood, I.M., Hayes, A., Eve, P., Valenti, M., Brandon, A.H., Box, G., vanMontfort, R.L.M., Williams, D.H., Aherne, G.W., Raynaud, F.I., Eccles, S.A., Garrett, M.D., Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM7
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, 1,2-ETHANEDIOL
Authors:Reader, J.C., Matthews, T.P., Klair, S., Cheung, K.M.J., Scanlon, J., Proisy, N., Addison, G., Ellard, J., Piton, N., Taylor, S., Cherry, M., Fisher, M., Boxall, K., Burns, S., Walton, M.I., Westwood, I.M., Hayes, A., Eve, P., Valenti, M., Brandon, A.H., Box, G., vanMontfort, R.L.M., Williams, D.H., Aherne, G.W., Raynaud, F.I., Eccles, S.A., Garrett, M.D., Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM8
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL
Authors:Reader, J.C., Matthews, T.P., Klair, S., Cheung, K.M.J., Scanlon, J., Proisy, N., Addison, G., Ellard, J., Piton, N., Taylor, S., Cherry, M., Fisher, M., Boxall, K., Burns, S., Walton, M.I., Westwood, I.M., Hayes, A., Eve, P., Valenti, M., Brandon, A.H., Box, G., vanMontfort, R.L.M., Williams, D.H., Aherne, G.W., Raynaud, F.I., Eccles, S.A., Garrett, M.D., Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2XEY
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Authors:Matthews, T.P., McHardy, T., Klair, S., Boxall, K., Fisher, M., Cherry, M., Allen, C.E., Addison, G.J., Ellard, J., Aherne, G.W., Westwood, I.M., van Montfort, R., Garrett, M.D., Reader, J.C., Collins, I.
Deposit date:2010-05-19
Release date:2010-06-30
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XEZ
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, 1,2-ETHANEDIOL
Authors:Matthews, T.P., McHardy, T., Klair, S., Boxall, K., Fisher, M., Cherry, M., Allen, C.E., Addison, G.J., Ellard, J., Aherne, G.W., Westwood, I.M., vanMontfort, R., Garrett, M.D., Reader, J.C., Collins, I.
Deposit date:2010-05-19
Release date:2010-07-07
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XF0
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, 1,2-ETHANEDIOL
Authors:Matthews, T.P., McHardy, T., Klair, S., Boxall, K., Fisher, M., Cherry, M., Allen, C.E., Addison, G.J., Ellard, J., Aherne, G.W., Westwood, I.M., van Montfort, R., Garrett, M.D., Reader, J.C., Collins, I.
Deposit date:2010-05-19
Release date:2010-06-30
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2UWD
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INHIBITION OF THE HSP90 MOLECULAR CHAPERONE IN VITRO AND IN VIVO BY NOVEL, SYNTHETIC, POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDE ANALOGS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, SULFATE ION, ...
Authors:Sharp, S.Y., Prodromou, C., Boxall, K., Powers, M.V., Holmes, J.L., Box, G., Matthews, T.P., Cheung, K.M., Kalusa, A., James, K., Hayes, A., Hardcastle, A., Dymock, B., Brough, P.A., Barril, X., Cansfield, J.E., Wright, L.M., Surgenor, A., Foloppe, N., Aherne, W., Pearl, L., Jones, K., McDonald, E., Raynaud, F., Eccles, S., Drysdale, M., Workman, P.
Deposit date:2007-03-20
Release date:2007-04-24
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues.
Mol. Cancer Ther., 6, 2007
4BDA
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 1,2-ETHANEDIOL, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDB
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 1,2-ETHANEDIOL, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDC
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, N-(furan-2-ylmethyl)quinoxaline-6-carboxamide, NITRATE ION, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDD
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, 1,2-ETHANEDIOL, 1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDE
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 1,2-ETHANEDIOL, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDF
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, 5-METHYL-3-PHENYL-1H-PYRAZOLE, NITRATE ION, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDG
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE, NITRATE ION, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDH
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, NITRATE ION, 3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDI
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK2, 1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide, NITRATE ION, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDJ
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:CHECKPOINT KINASE 2, 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, NITRATE ION
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDK
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FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)
Descriptor:CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, NITRATE ION, ...
Authors:Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4C33
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PKA-S6K1 CHIMERA APO
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA
Authors:Couty, S., Westwood, I.M., Kalusa, A., Cano, C., Travers, J., Boxall, K., Chow, C.L., Burns, S., Schmitt, J., Pickard, L., Barillari, C., McAndrew, P.C., Clarke, P.A., Linardopoulos, S., Griffin, R.J., Aherne, G.W., Raynaud, F.I., Workman, P., Jones, K., van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of Potent Ribosomal S6 Kinase Inhibitors by High-Throughput Screening and Structure-Guided Drug Design.
Oncotarget, 4, 2013
4C34
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PKA-S6K1 CHIMERA WITH STAUROSPORINE BOUND
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, STAUROSPORINE, ...
Authors:Couty, S., Westwood, I.M., Kalusa, A., Cano, C., Travers, J., Boxall, K., Chow, C.L., Burns, S., Schmitt, J., Pickard, L., Barillari, C., McAndrew, P.C., Clarke, P.A., Linardopoulos, S., Griffin, R.J., Aherne, G.W., Raynaud, F.I., Workman, P., Jones, K., van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Discovery of Potent Ribosomal S6 Kinase Inhibitors by High-Throughput Screening and Structure-Guided Drug Design.
Oncotarget, 4, 2013
4C35
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PKA-S6K1 CHIMERA WITH COMPOUND 1 (NU1085) BOUND
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, ...
Authors:Couty, S., Westwood, I.M., Kalusa, A., Cano, C., Travers, J., Boxall, K., Chow, C.L., Burns, S., Schmitt, J., Pickard, L., Barillari, C., McAndrew, P.C., Clarke, P.A., Linardopoulos, S., Griffin, R.J., Aherne, G.W., Raynaud, F.I., Workman, P., Jones, K., van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Discovery of Potent Ribosomal S6 Kinase Inhibitors by High-Throughput Screening and Structure-Guided Drug Design.
Oncotarget, 4, 2013
4C36
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Molmil generated image of 4c36
PKA-S6K1 CHIMERA WITH COMPOUND 15E (CCT147581) BOUND
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, ...
Authors:Couty, S., Westwood, I.M., Kalusa, A., Cano, C., Travers, J., Boxall, K., Chow, C.L., Burns, S., Schmitt, J., Pickard, L., Barillari, C., McAndrew, P.C., Clarke, P.A., Linardopoulos, S., Griffin, R.J., Aherne, G.W., Raynaud, F.I., Workman, P., Jones, K., van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Discovery of Potent Ribosomal S6 Kinase Inhibitors by High-Throughput Screening and Structure-Guided Drug Design.
Oncotarget, 4, 2013