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7KPY
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BU of 7kpy by Molmil
Crystal structure of CBP bromodomain liganded with UMB298 (compound 23)
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2020-11-12
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
7LH8
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BU of 7lh8 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131
Descriptor: (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Schonbrunn, E, Chan, A.
Deposit date:2021-01-21
Release date:2022-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
3QTQ
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BU of 3qtq by Molmil
CDK2 in complex with inhibitor RC-1-137
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
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 (1.8 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QTW
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BU of 3qtw by Molmil
CDK2 in complex with inhibitor RC-2-13
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
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 (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QQH
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BU of 3qqh by Molmil
CDK2 in complex with inhibitor L2-2
Descriptor: 1,2-ETHANEDIOL, 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol, Cyclin-dependent kinase 2, ...
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-15
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QRT
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BU of 3qrt by Molmil
CDK2 in complex with inhibitor NSK-MC2-55
Descriptor: (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-18
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
3QTR
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BU of 3qtr by Molmil
CDK2 in complex with inhibitor RC-1-148
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
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 (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QQL
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BU of 3qql by Molmil
CDK2 in complex with inhibitor L3
Descriptor: (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-15
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QU0
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BU of 3qu0 by Molmil
CDK2 in complex with inhibitor RC-2-38
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-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
3QTS
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BU of 3qts by Molmil
CDK2 in complex with inhibitor RC-2-12
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
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 (1.9 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QX2
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BU of 3qx2 by Molmil
CDK2 in complex with inhibitor KVR-1-190
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-01
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
3QWJ
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BU of 3qwj by Molmil
CDK2 in complex with inhibitor KVR-1-142
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-28
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
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
3QX4
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BU of 3qx4 by Molmil
CDK2 in complex with inhibitor KVR-1-78
Descriptor: 1,2-ETHANEDIOL, 4-chloro-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:2011-03-01
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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
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
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
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
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

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