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PDB: 461 件
7ZPC
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CDK2 in complex 9K-DOS
分子名称: Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide
著者Watt, J.E, Martin, M.P, Noble, M.E.N.
登録日2022-04-27
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
4GCJ
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BU of 4gcj 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2012-07-30
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
2R3R
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BU of 2r3r by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2021-07-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
4FKU
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BU of 4fku by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, Cyclin-dependent kinase 2, GLYCEROL
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
6GUH
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BU of 6guh by Molmil
CDK2 in complex with AZD5438
分子名称: 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
2R3F
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BU of 2r3f by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
7RWF
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BU of 7rwf by Molmil
Crystal structure of CDK2 in complex with TW8672
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
2R3H
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Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
4FKG
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Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
分子名称: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid, Cyclin-dependent kinase 2
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
8RU8
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BU of 8ru8 by Molmil
A crystal form of a human CDK2-CDK7 chimera
分子名称: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2
著者Mukherjee, M, Cleasby, A.
登録日2024-01-30
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
4EK6
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BU of 4ek6 by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
分子名称: Cyclin-dependent kinase 2, N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-04-09
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
1JVP
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BU of 1jvp by Molmil
Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
分子名称: 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole, Cell division protein kinase 2
著者Rondeau, J.M.
登録日2001-08-31
公開日2001-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-based design and protein X-ray analysis of a protein kinase inhibitor.
Bioorg.Med.Chem.Lett., 12, 2002
7VDU
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BU of 7vdu by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1
分子名称: Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
8UV0
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Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
分子名称: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
著者Deller, M.C, Epling, L.B.
登録日2023-11-02
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
2R3G
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BU of 2r3g by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
4FKO
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BU of 4fko by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
分子名称: 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine, ACETATE ION, Cyclin-dependent kinase 2
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
4FKS
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BU of 4fks by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
7RWE
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BU of 7rwe by Molmil
Crystal structure of CDK2 liganded with compound GPHR787
分子名称: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7SA0
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Crystal structure of CDK2 liganded with compound EF4195
分子名称: 1,2-ETHANEDIOL, 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-21
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2)
To Be Published
8FP0
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Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
5OO0
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Cdk2(WT) covalent adduct with D28 at C177
分子名称: Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
1OIT
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BU of 1oit by Molmil
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
分子名称: 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
登録日2003-06-24
公開日2003-09-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1H00
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BU of 1h00 by Molmil
CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor
分子名称: (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2
著者Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E.
登録日2002-06-10
公開日2003-07-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
4FKI
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Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
分子名称: Cyclin-dependent kinase 2, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
To be Published
4FKT
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Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: Cyclin-dependent kinase 2, N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published

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