Author results

6HX1
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IRE1 ALPHA IN COMPLEX WITH IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE COMPOUND 2
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
Authors:Augustin, M.A., Krapp, S., Bayliss, R., Collins, I.
Deposit date:2018-10-15
Release date:2019-02-27
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
6HV0
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IRE1 KINASE/RNASE IN COMPLEX WITH IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE COMPOUND 33
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
Authors:Bayliss, R., Bhatia, C., Collins, I.
Deposit date:2018-10-09
Release date:2019-02-27
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
5F4N
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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
5AQF
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ADENOSINE, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQG
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQH
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQI
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQJ
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, CHLORIDE ION, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQK
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQL
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQM
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQN
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQO
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQP
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, quinazolin-4-amine, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQQ
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, 7-methylquinazolin-4-amine, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQR
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQS
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ISOQUINOLIN-1-AMINE, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQT
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQU
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQV
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK COGNATE 71 KDA PROTEIN, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQW
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK 70 KDA PROTEIN 1A, (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, PHOSPHATE ION, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQX
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK 70 KDA PROTEIN 1A, (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, DIMETHYL SULFOXIDE, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQY
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FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIONAL ROLE OF ATP-BINDING SITE RESIDUES
Descriptor:HEAT SHOCK 70 KDA PROTEIN 1A, ADENOSINE, 1,2-ETHANEDIOL, ...
Authors:Jones, A.M., Westwood, I.M., Osborne, J.D., Matthews, T.P., Cheeseman, M.D., Rowlands, M.G., Jeganathan, F., Burke, R., Lee, D., Kadi, N., Liu, M., Richards, M., McAndrew, C., Yahya, N., Dobson, S.E., Jones, K., Workman, P., Collins, I., van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQZ
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HSP72 WITH ADENOSINE-DERIVED INHIBITOR
Descriptor:HEAT SHOCK 70 KDA PROTEIN 1A, SANGIVAMYCIN, 1,2-ETHANEDIOL
Authors:Cheeseman, M.D., Westwood, I.M., Barbeau, O., Rowlands, M.G., Jones, A.M., Jeganathan, F., Burke, R., Dobson, S.E., Workman, P., Collins, I., van Montfort, R.L.M., Jones, K.
Deposit date:2015-09-22
Release date:2016-05-11
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
J.Med.Chem., 59, 2016
5AR0
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HSP72 WITH ADENOSINE-DERIVED INHIBITOR
Descriptor:HEAT SHOCK 70 KDA PROTEIN 1A, (2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, GLYCEROL, ...
Authors:Cheeseman, M.D., Westwood, I.M., Barbeau, O., Rowlands, M.G., Jones, A.M., Jeganathan, F., Burke, R., Dobson, S.E., Workman, P., Collins, I., van Montfort, R.L.M., Jones, K.
Deposit date:2015-09-22
Release date:2016-05-11
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
J.Med.Chem., 59, 2016
170172
PDB entries from 2020-10-21