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2A0C
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BU of 2a0c by Molmil
Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Descriptor: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2
Authors:Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M.
Deposit date:2005-06-16
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
2CLX
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BU of 2clx by Molmil
4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects
Descriptor: 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2
Authors:Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M.
Deposit date:2006-05-02
Release date:2006-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects
J.Med.Chem., 49, 2006
7QHL
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BU of 7qhl by Molmil
Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24
Descriptor: 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders.
J.Med.Chem., 65, 2022
7B7S
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BU of 7b7s by Molmil
CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368
Descriptor: 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2020-12-11
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:3 H -Pyrazolo[4,3- f ]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo.
J.Med.Chem., 64, 2021
6GVA
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BU of 6gva by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455
Descriptor: 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ...
Authors:Skerlova, J, Rezacova, P.
Deposit date:2018-06-20
Release date:2019-05-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
J.Med.Chem., 62, 2019
8B54
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BU of 8b54 by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768
Descriptor: 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2022-09-21
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7.
Biomed Pharmacother, 161, 2023
5LMK
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BU of 5lmk by Molmil
Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor
Descriptor: 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A.
Deposit date:2016-08-01
Release date:2017-01-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016
7ACK
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BU of 7ack by Molmil
CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ...
Authors:Skerlova, J, Pachl, P, Rezacova, P.
Deposit date:2020-09-11
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
3PJ8
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BU of 3pj8 by Molmil
Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine.
Descriptor: (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol, Cell division protein kinase 2
Authors:McNae, I.W, Jorda, R, Havlicek, L, Strnad, M, Voller, J, Walkinshaw, M.D, Krystof, V.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine: Evaluation of a Novel Selective Inhibitor of Cyclin-Dependent Kinases with Antiproliferative Activity.
J.Med.Chem., 54, 2011

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