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3QZI
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BU of 3qzi by Molmil
CDK2 in complex with inhibitor KVR-1-126
Descriptor: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-06
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QTX
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BU of 3qtx by Molmil
CDK2 in complex with inhibitor RC-2-35
Descriptor: 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-23
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QXP
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BU of 3qxp by Molmil
CDK2 in complex with inhibitor RC-3-89
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-02
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QZH
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BU of 3qzh by Molmil
CDK2 in complex with inhibitor KVR-1-124
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-06
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3Q3B
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BU of 3q3b by Molmil
6-Amino-4-(pyrimidin-4-yl)pyridones: Novel Glycogen Synthase Kinase-3 Inhibitors
Descriptor: 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Glycogen synthase kinase-3 beta
Authors:Pandit, J.
Deposit date:2010-12-21
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3β inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
3QZF
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BU of 3qzf by Molmil
CDK2 in complex with inhibitor JWS-6-52
Descriptor: 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-06
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R6X
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BU of 3r6x by Molmil
CDK2 in complex with inhibitor KVR-1-158
Descriptor: 1,2-ETHANEDIOL, 4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-22
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R7U
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BU of 3r7u by Molmil
CDK2 in complex with inhibitor KVR-1-75
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-23
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R9H
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BU of 3r9h by Molmil
CDK2 in complex with inhibitor RC-2-142
Descriptor: 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-25
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RPO
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BU of 3rpo by Molmil
CDK2 in complex with inhibitor KVR-1-156
Descriptor: 1,2-ETHANEDIOL, 4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-27
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RPV
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BU of 3rpv by Molmil
CDK2 in complex with inhibitor RC-2-88
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-27
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R7V
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BU of 3r7v by Molmil
CDK2 in complex with inhibitor KVR-1-9
Descriptor: 1,2-ETHANEDIOL, 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-23
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R71
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BU of 3r71 by Molmil
CDK2 in complex with inhibitor KVR-1-162
Descriptor: 1,2-ETHANEDIOL, 4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-22
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R83
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BU of 3r83 by Molmil
CDK2 in complex with inhibitor KVR-2-92
Descriptor: 1,2-ETHANEDIOL, 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-23
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R9D
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BU of 3r9d by Molmil
CDK2 in complex with inhibitor RC-2-135
Descriptor: 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-25
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RNI
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BU of 3rni by Molmil
CDK2 in complex with inhibitor RC-3-86
Descriptor: 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-22
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RAL
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BU of 3ral by Molmil
CDK2 in complex with inhibitor RC-2-34
Descriptor: 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-28
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RPR
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BU of 3rpr by Molmil
CDK2 in complex with inhibitor RC-2-49
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-27
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RPY
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BU of 3rpy by Molmil
CDK2 in complex with inhibitor RC-2-40
Descriptor: 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-27
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RQD
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BU of 3rqd by Molmil
Ideal Thiolate-Zinc Coordination Geometry in Depsipeptide Binding to Histone Deacetylase 8
Descriptor: Histone deacetylase 8, Largazole, POTASSIUM ION, ...
Authors:Cole, K.E, Dowling, D.P, Christianson, D.W.
Deposit date:2011-04-28
Release date:2011-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:Structural basis of the antiproliferative activity of largazole, a depsipeptide inhibitor of the histone deacetylases.
J.Am.Chem.Soc., 133, 2011
3R28
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BU of 3r28 by Molmil
CDK2 in complex with inhibitor KVR-1-140
Descriptor: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-14
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RK5
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BU of 3rk5 by Molmil
CDK2 in complex with inhibitor RC-2-72
Descriptor: 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RAK
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BU of 3rak by Molmil
CDK2 in complex with inhibitor RC-2-32
Descriptor: 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-28
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RM6
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BU of 3rm6 by Molmil
CDK2 in complex with inhibitor KVR-2-80
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-20
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RSE
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BU of 3rse by Molmil
Structural and biochemical characterization of two binding sites for nucleation promoting factor WASp-VCA on Arp2/3 complex
Descriptor: Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ...
Authors:Pollard, T.D, Jurgenson, C.T, Ti, S, Nolen, B.J.
Deposit date:2011-05-02
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and biochemical characterization of two binding sites for nucleation-promoting factor WASp-VCA on Arp2/3 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011

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