6HX1 | | 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
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6HV0 | | 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
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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
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5AQF | | 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
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5AQG | | 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
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5AQH | | 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
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5AQI | | 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
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5AQJ | | 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
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5AQK | | 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
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5AQL | | 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
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5AQM | | 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
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5AQN | | 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
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5AQO | | 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
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5AQP | | 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
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5AQQ | | 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
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5AQR | | 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
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5AQS | | 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
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5AQT | | 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
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5AQU | | 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
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5AQV | | 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
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5AQW | | 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
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5AQX | | 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
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5AQY | | 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
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5AQZ | | 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
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5AR0 | | 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
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