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1W4T
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X-RAY CRYSTALLOGRAPHIC STRUCTURE OF PSEUDOMONAS AERUGINOSA ARYLAMINE N-ACETYLTRANSFERASE
Descriptor:Arylamine N-acetyltransferase, SULFATE ION
Authors:Westwood, I.M., Holton, S.J., Rodrigues-Lima, F., Dupret, J.-M., Bhakta, S., Noble, M.E., Sim, E.
Deposit date:2004-07-29
Release date:2005-08-03
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Expression, purification, characterization and structure of Pseudomonas aeruginosa arylamine N-acetyltransferase.
Biochem. J., 385, 2005
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
2V9C
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X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A PSEUDOMONAS AERUGINOSA AZOREDUCTASE IN COMPLEX WITH METHYL RED.
Descriptor:FMN-DEPENDENT NADH-AZOREDUCTASE 1, FLAVIN MONONUCLEOTIDE, 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, ...
Authors:Wang, C.-J., Hagemeier, C., Rahman, N., Lowe, E.D., Noble, M.E.M., Coughtrie, M., Sim, E., Westwood, I.M.
Deposit date:2007-08-23
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Molecular Cloning, Characterisation and Ligand- Bound Structure of an Azoreductase from Pseudomonas Aeruginosa
J.Mol.Biol., 373, 2007
2VF2
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X-RAY CRYSTAL STRUCTURE OF HSAD FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, SULFATE ION
Authors:Lack, N., Lowe, E.D., Liu, J., Eltis, L.D., Noble, M.E.M., Sim, E., Westwood, I.M.
Deposit date:2007-10-29
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of Hsad, a Steroid-Degrading Hydrolase, from Mycobacterium Tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
2VFB
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THE STRUCTURE OF MYCOBACTERIUM MARINUM ARYLAMINE N-ACETYLTRANSFERASE
Descriptor:ARYLAMINE N-ACETYLTRANSFERASE
Authors:Fullam, E., Westwood, I.M., Anderton, M.C., Lowe, E.D., Sim, E., Noble, M.E.M.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergence of Cofactor Recognition Across Evolution: Coenzyme a Binding in a Prokaryotic Arylamine N-Acetyltransferase.
J.Mol.Biol., 375, 2008
2VFC
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THE STRUCTURE OF MYCOBACTERIUM MARINUM ARYLAMINE N-ACETYLTRANSFERASE IN COMPLEX WITH COA
Descriptor:ARYLAMINE N-ACETYLTRANSFERASE, COENZYME A
Authors:Fullam, E., Westwood, I.M., Anderton, M.C., Lowe, E.D., Sim, E., Noble, M.E.M.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Divergence of Cofactor Recognition Across Evolution: Coenzyme a Binding in a Prokaryotic Arylamine N-Acetyltransferase.
J.Mol.Biol., 375, 2008
2WMQ
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMR
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMS
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMT
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMU
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 6-MORPHOLIN-4-YL-9H-PURINE
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMV
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMW
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMX
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CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
Authors:Matthews, T.P., Klair, S., Burns, S., Boxall, K., Cherry, M., Fisher, M., Westwood, I.M., Walton, M.I., McHardy, T., Cheung, K.-M.J., Van Montfort, R., Williams, D., Aherne, G.W., Garrett, M.D., Reader, J., Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
3ZO1
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THE SYNTHESIS AND EVALUATION OF DIAZASPIROCYCLIC PROTEIN KINASE INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, ...
Authors:Allen, C.E., Chow, C.L., Caldwell, J.J., Westwood, I.M., van Montfort, R.L., Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3ZO2
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THE SYNTHESIS AND EVALUATION OF DIAZASPIROCYCLIC PROTEIN KINASE INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, ...
Authors:Allen, C.E., Chow, C.L., Caldwell, J.J., Westwood, I.M., van Montfort, R.L., Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3ZO3
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THE SYNTHESIS AND EVALUATION OF DIAZASPIROCYCLIC PROTEIN KINASE INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, ...
Authors:Allen, C.E., Chow, C.L., Caldwell, J.J., Westwood, I.M., van Montfort, R.L., Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013