Author results

2C1A
  • Download 2c1a
  • View 2c1a
Molmil generated image of 2c1a
STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO) ETHYL)AMIDE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Authors:Collins, I., Caldwell, J., Fonseca, T., Donald, A., Bavetsias, V., Hunter, L.J., Garrett, M.D., Rowlands, M.G., Aherne, G.W., Davies, T.G., Berdini, V., Woodhead, S.J., Seavers, L.C.A., Wyatt, P.G., Workman, P., McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
2C1B
  • Download 2c1b
  • View 2c1b
Molmil generated image of 2c1b
STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE
Authors:Collins, I., Caldwell, J., Fonseca, T., Donald, A., Bavetsias, V., Hunter, L.J., Garrett, M.D., Rowlands, M.G., Aherne, G.W., Davies, T.G., Berdini, V., Woodhead, S.J., Seavers, L.C.A., Wyatt, P.G., Workman, P., McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
5F4N
  • Download 5f4n
  • View 5f4n
Molmil generated image of 5f4n
MULTI-PARAMETER LEAD OPTIMIZATION TO GIVE AN ORAL CHK1 INHIBITOR CLINICAL CANDIDATE: (R)-5-((4-((MORPHOLIN-2-YLMETHYL)AMINO)-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)AMINO)PYRAZINE-2-CARBONITRILE (CCT245737)
Descriptor:Serine/threonine-protein kinase Chk1, methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate, 1,2-ETHANEDIOL, ...
Authors:Collins, I., Garrett, M.D., van Montfort, R., Osborne, J.D., Matthews, T.P., McHardy, T., Proisy, N., Cheung, K.J., Lainchbury, M., Brown, N., Walton, M.I., Eve, P.D., Boxall, K.J., Hayes, A., Henley, A.T., Valenti, M.R., De Haven Brandon, A.K., Box, G., Westwood, I.M., Jamin, Y., Robinson, S.P., Leonard, P., Reader, J.C., Aherne, G.W., Raynaud, F.I., Eccles, S.A.
Deposit date:2015-12-03
Release date:2016-05-25
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
2YM3
  • Download 2ym3
  • View 2ym3
Molmil generated image of 2ym3
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
  • Download 2ym4
  • View 2ym4
Molmil generated image of 2ym4
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
  • Download 2ym5
  • View 2ym5
Molmil generated image of 2ym5
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
  • Download 2ym6
  • View 2ym6
Molmil generated image of 2ym6
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
  • Download 2ym7
  • View 2ym7
Molmil generated image of 2ym7
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
  • Download 2ym8
  • View 2ym8
Molmil generated image of 2ym8
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
  • Download 2xey
  • View 2xey
Molmil generated image of 2xey
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
  • Download 2xez
  • View 2xez
Molmil generated image of 2xez
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
  • Download 2xf0
  • View 2xf0
Molmil generated image of 2xf0
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
2JDO
  • Download 2jdo
  • View 2jdo
Molmil generated image of 2jdo
STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
Descriptor:RAC-BETA SERINE/THREONINE-PROTEIN KINASE, GLYCOGEN SYNTHASE KINASE-3 BETA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE, ...
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., Mchardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-11
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDR
  • Download 2jdr
  • View 2jdr
Molmil generated image of 2jdr
STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A-443654
Descriptor:RAC-BETA SERINE/THREONINE-PROTEIN KINASE, GLYCOGEN SYNTHASE KINASE-3 BETA, (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., McHardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDS
  • Download 2jds
  • View 2jds
Molmil generated image of 2jds
STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A-443654
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., McHardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDT
  • Download 2jdt
  • View 2jdt
Molmil generated image of 2jdt
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., McHardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDV
  • Download 2jdv
  • View 2jdv
Molmil generated image of 2jdv
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH A-443654
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., Mchardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2UVX
  • Download 2uvx
  • View 2uvx
Molmil generated image of 2uvx
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH 7-AZAINDOLE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Davies, T.G., Donald, A., McHardy, T., Rowlands, M.G., Hunter, L.J., Boyle, R.G., Aherne, G.W., Garrett, M.D., Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UVY
  • Download 2uvy
  • View 2uvy
Molmil generated image of 2uvy
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH METHYL-(4-(9H-PURIN-6-YL)- BENZYL)-AMINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Davies, T.G., Donald, A., McHardy, T., Rowlands, M.G., Hunter, L.J., Boyle, R.G., Aherne, G.W., Garrett, M.D., Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UVZ
  • Download 2uvz
  • View 2uvz
Molmil generated image of 2uvz
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH C-PHENYL-C-(4-(9H-PURIN-6- YL)-PHENYL)-METHYLAMINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Davies, T.G., Donald, A., McHardy, T., Rowlands, M.G., Hunter, L.J., Boyle, R.G., Aherne, G.W., Garrett, M.D., Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UW0
  • Download 2uw0
  • View 2uw0
Molmil generated image of 2uw0
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH 6-(4-(4-(4-CHLORO-PHENYL) -PIPERIDIN-4-YL)-PHENYL)-9H-PURINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Davies, T.G., Donald, A., McHardy, T., Rowlands, M.G., Hunter, L.J., Boyle, R.G., Aherne, G.W., Garrett, M.D., Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2VCI
  • Download 2vci
  • View 2vci
Molmil generated image of 2vci
4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE
Authors:Brough, P.A., Aherne, W., Barril, X., Borgognoni, J., Boxal, K., Cansfield, J.E., Cheung, K.M., Collins, I., Davies, N.G.M., Drysdale, M.J., Dymock, B., Eccles, S.A., Finch, H., Fink, A., Hayes, A., Howes, R., Hubbard, R.E., James, K., Jordan, A.M., Lockie, A., Martins, V., Massey, A., Matthews, T.P., McDonald, E., Northfield, C.J., Pearl, L.H., Prodromou, C., Ray, S., Raynaud, F.I., Roughley, S.D., Sharp, S.Y., Surgenor, A., Walmsley, D.L., Webb, P., Wood, M., Workman, P., Wright, L.
Deposit date:2007-09-24
Release date:2007-12-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51, 2008
2VCJ
  • Download 2vcj
  • View 2vcj
Molmil generated image of 2vcj
4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
Authors:Brough, P.A., Aherne, W., Barril, X., Borgognoni, J., Boxal, K., Cansfield, J.E., Cheung, K.M., Collins, I., Davies, N.G.M., Drysdale, M.J., Dymock, B., Eccles, S.A., Finch, H., Fink, A., Hayes, A., Howes, R., Hubbard, R.E., James, K., Jordan, A.M., Lockie, A., Martins, V., Massey, A., Matthews, T.P., McDonald, E., Northfield, C.J., Pearl, L.H., Prodromou, C., Ray, S., Raynaud, F.I., Roughley, S.D., Sharp, S.Y., Surgenor, A., Walmsley, D.L., Webb, P., Wood, M., Workman, P., Wright, L.
Deposit date:2007-09-24
Release date:2007-12-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51, 2008
2VNW
  • Download 2vnw
  • View 2vnw
Molmil generated image of 2vnw
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH (1-(9H-PURIN-6-YL) PIPERIDIN-4-YL)METHANAMINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Caldwell, J.J., Davies, T.G., Donald, A., McHardy, T., Rowlands, M.G., Aherne, G.W., Hunter, L.K., Taylor, K., Ruddle, R., Raynaud, F.I., Verdonk, M., Workman, P., Garrett, M.D., Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VNY
  • Download 2vny
  • View 2vny
Molmil generated image of 2vny
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH (1-(9H-PURIN-6-YL) PIPERIDIN-4-YL)AMINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Caldwell, J.J., Davies, T.G., Donald, A., McHardy, T., Rowlands, M.G., Aherne, G.W., Hunter, L.K., Taylor, K., Ruddle, R., Raynaud, F.I., Verdonk, M., Workman, P., Garrett, M.D., Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008