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2QFU
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BU of 2qfu by Molmil
E.coli EPSP synthase Pro101Leu liganded with S3P and glyphosate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, GLYPHOSATE, ...
著者Schonbrunn, E, Healy-Fried, M.L.
登録日2007-06-28
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
7KPY
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BU of 7kpy by Molmil
Crystal structure of CBP bromodomain liganded with UMB298 (compound 23)
分子名称: 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
著者Schonbrunn, E, Bikowitz, M.
登録日2020-11-12
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
3QQK
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BU of 3qqk by Molmil
CDK2 in complex with inhibitor L4
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QXO
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BU of 3qxo by Molmil
CDK2 in complex with inhibitor KVR-1-84
分子名称: 1,2-ETHANEDIOL, 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-02
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RMF
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BU of 3rmf by Molmil
CDK2 in complex with inhibitor RC-2-33
分子名称: 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-20
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3ROY
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BU of 3roy by Molmil
CDK2 in complex with inhibitor KVR-1-154
分子名称: 1,2-ETHANEDIOL, 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-26
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R8P
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BU of 3r8p by Molmil
CDK2 in complex with inhibitor NSK-MC1-6
分子名称: (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R9N
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BU of 3r9n by Molmil
CDK2 in complex with inhibitor RC-2-21
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-25
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R7E
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BU of 3r7e by Molmil
CDK2 in complex with inhibitor KVR-1-67
分子名称: 1,2-ETHANEDIOL, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-22
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R8M
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BU of 3r8m by Molmil
CDK2 in complex with inhibitor L3-3
分子名称: 1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2, PHOSPHATE ION
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RK7
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BU of 3rk7 by Molmil
CDK2 in complex with inhibitor RC-2-71
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-17
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-01
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QTS
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BU of 3qts by Molmil
CDK2 in complex with inhibitor RC-2-12
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QWJ
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BU of 3qwj by Molmil
CDK2 in complex with inhibitor KVR-1-142
分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-28
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-06
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-01
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-06
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-02
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-06
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QRU
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BU of 3qru by Molmil
CDK2 in complex with inhibitor NSK-MC1-12
分子名称: (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-18
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QTU
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BU of 3qtu by Molmil
CDK2 in complex with inhibitor RC-2-132
分子名称: 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QTZ
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BU of 3qtz by Molmil
CDK2 in complex with inhibitor RC-2-36
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QZG
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BU of 3qzg by Molmil
CDK2 in complex with inhibitor JWS-6-76
分子名称: 1,2-ETHANEDIOL, 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-06
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QTQ
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BU of 3qtq by Molmil
CDK2 in complex with inhibitor RC-1-137
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013

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