Author results

4BDA
  • Download 4bda
  • View 4bda
Molmil generated image of 4bda
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
  • Download 4bdb
  • View 4bdb
Molmil generated image of 4bdb
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
  • Download 4bdc
  • View 4bdc
Molmil generated image of 4bdc
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
  • Download 4bdd
  • View 4bdd
Molmil generated image of 4bdd
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
  • Download 4bde
  • View 4bde
Molmil generated image of 4bde
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
  • Download 4bdf
  • View 4bdf
Molmil generated image of 4bdf
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
  • Download 4bdg
  • View 4bdg
Molmil generated image of 4bdg
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
  • Download 4bdh
  • View 4bdh
Molmil generated image of 4bdh
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
  • Download 4bdi
  • View 4bdi
Molmil generated image of 4bdi
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
  • Download 4bdj
  • View 4bdj
Molmil generated image of 4bdj
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
  • Download 4bdk
  • View 4bdk
Molmil generated image of 4bdk
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
4BHZ
  • Download 4bhz
  • View 4bhz
Molmil generated image of 4bhz
SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, thieno[2,3-c][2,6]naphthyridine, ...
Authors:Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.
Deposit date:2013-04-09
Release date:2013-05-22
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
4BI0
  • Download 4bi0
  • View 4bi0
Molmil generated image of 4bi0
SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 5H-pyrimido[5,4-b]indole, ...
Authors:Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.
Deposit date:2013-04-09
Release date:2013-05-22
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
4BI1
  • Download 4bi1
  • View 4bi1
Molmil generated image of 4bi1
SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, thieno[3,2-c][2,6]naphthyridine, ...
Authors:Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.
Deposit date:2013-04-09
Release date:2013-05-22
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
4BI2
  • Download 4bi2
  • View 4bi2
Molmil generated image of 4bi2
SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ...
Authors:Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.
Deposit date:2013-04-09
Release date:2013-05-22
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
5BNJ
  • Download 5bnj
  • View 5bnj
Molmil generated image of 5bnj
CDK8/CYCC IN COMPLEX WITH 8-{3-CHLORO-5-[4-(1-METHYL-1H-PYRAZOL-4-YL)-PHENYL]-PYRIDIN- 4-YL}-2,8-DIAZA-SPIRO[4.5]DECAN-1-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, ...
Authors:Musil, D., Blagg, J., Wienke, D.
Deposit date:2015-05-26
Release date:2015-10-14
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
5FGK
  • Download 5fgk
  • View 5fgk
Molmil generated image of 5fgk
CDK8-CYCC IN COMPLEX WITH 8-[3-(3-AMINO-1H-INDAZOL-6-YL)-5-CHLORO- PYRIDINE-4-YL]-2,8-DIAZA-SPIRO[4.5]DECAN-1-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-20
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBE
  • Download 5hbe
  • View 5hbe
Molmil generated image of 5hbe
CDK8-CYCC IN COMPLEX WITH 8-[3-CHLORO-5-(1-METHYL-2,2-DIOXO-2, 3-DIHYDRO-1H-2L6-BENZO[C]ISOTHIAZOL-5-YL)-PYRIDIN- 4-YL]-1-OXA-3,8-DIAZA-SPIRO[4.5]DECAN-2-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBH
  • Download 5hbh
  • View 5hbh
Molmil generated image of 5hbh
CDK8-CYCC IN COMPLEX WITH 5-{5-CHLORO-4-[1-(2-METHOXY-ETHYL)-1,8-DIAZA-SPIRO[4.5]DEC-8-YL]-PYRIDIN-3-YL}-1-METHYL-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE 2,2-DIOXIDE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBJ
  • Download 5hbj
  • View 5hbj
Molmil generated image of 5hbj
CDK8-CYCC IN COMPLEX WITH 8-[2-AMINO-3-CHLORO-5-(1-METHYL-1H-INDAZOL-5-YL)-PYRIDIN-4-YL]-2,8-DIAZA-SPIRO[4.5]DECAN-1-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5I5Z
  • Download 5i5z
  • View 5i5z
Molmil generated image of 5i5z
CDK8-CYCC IN COMPLEX WITH 8-(1-METHYL-2,2-DIOXO-2,3-DIHYDRO-1H-2L6-BENZO[C]ISOTHIAZOL-5-YL)-[1,6]NAPHTHYRIDINE-2-CARBOXYLIC ACID METHYLAMIDE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2016-02-15
Release date:2016-04-13
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
5ICP
  • Download 5icp
  • View 5icp
Molmil generated image of 5icp
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-CHLORO-PHENYL)-PYRROLIDIN-1-YL]-(5-METHYL-IMIDAZO[5,1-B][1,3,4]THIADIAZOL-2-YL)-METHANONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone, ...
Authors:Musil, D., Blagg, J., Mallinger, A., Czodrowski, P., Schiemann, K.
Deposit date:2016-02-23
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5IDN
  • Download 5idn
  • View 5idn
Molmil generated image of 5idn
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-CHLORO-PHENYL)-PYRROLIDIN-1-YL]-(3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-METHANONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone, ...
Authors:Musil, D., Blagg, J., Mallinger, A., Czodrowski, P., Schiemann, K.
Deposit date:2016-02-24
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5IDP
  • Download 5idp
  • View 5idp
Molmil generated image of 5idp
CDK8-CYCC IN COMPLEX WITH (3-AMINO-1H-INDAZOL-5-YL)-[(S)-2-(4-FLUORO-PHENYL)-PIPERIDIN-1-YL]-METHANONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, ...
Authors:Musil, D., Blagg, J., Mallinger, A., Czodrowski, P., Schiemann, K.
Deposit date:2016-02-24
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5MHQ
  • Download 5mhq
  • View 5mhq
Molmil generated image of 5mhq
CCT068127 IN COMPLEX WITH CDK2
Descriptor:Cyclin-dependent kinase 2, (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
Authors:Whittaker, S.R., Barlow, C., Martin, M.P., Mancusi, C., Wagner, S., Barrie, E., te Poele, R., Sharp, S., Brown, N., Wilson, S., Clarke, P., Walton, M.I., MacDonald, E., Blagg, J., Noble, M.E.M., Garrett, M.D., Workman, P.
Deposit date:2016-11-25
Release date:2017-12-20
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor.
Mol Oncol, 12, 2018