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5AQI
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BU of 5aqi by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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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BU of 5aqr by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献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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BU of 5aqq by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献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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BU of 5aqs by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, HEAT SHOCK COGNATE 71 KDA PROTEIN, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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BU of 5aqk by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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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BU of 5aqz by Molmil
HSP72 with adenosine-derived inhibitor
分子名称: 1,2-ETHANEDIOL, HEAT SHOCK 70 KDA PROTEIN 1A, SANGIVAMYCIN
著者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.
登録日2015-09-22
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
J.Med.Chem., 59, 2016
5AQV
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BU of 5aqv by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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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BU of 5aql by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献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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BU of 5aqw by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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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BU of 5aqu by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者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.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AR0
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BU of 5ar0 by Molmil
HSP72 with adenosine-derived inhibitor
分子名称: (2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者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.
登録日2015-09-22
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
J.Med.Chem., 59, 2016
3ZO1
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BU of 3zo1 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3ZO4
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BU of 3zo4 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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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BU of 3zo2 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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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BU of 3zo3 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
4BDI
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BU of 4bdi by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide, CHLORIDE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDD
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BU of 4bdd by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA, NITRATE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDC
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BU of 4bdc by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-(furan-2-ylmethyl)quinoxaline-6-carboxamide, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDF
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BU of 4bdf by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 5-METHYL-3-PHENYL-1H-PYRAZOLE, NITRATE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDK
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BU of 4bdk by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDE
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BU of 4bde by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 6-METHYLQUINAZOLIN-4-AMINE, NITRATE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDJ
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Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, CHECKPOINT KINASE 2, NITRATE ION
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDG
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BU of 4bdg by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDB
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BU of 4bdb by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol, NITRATE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4BDH
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BU of 4bdh by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ...
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013

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