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2CCI
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BU of 2cci by Molmil
Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6 homolog, Cyclin-A2, ...
Authors:Cheng, K.Y, Noble, M.E.M, Skamnaki, V, Brown, N.R, Lowe, E.D, Kontogiannis, L, Shen, K, Cole, P.A, Siligardi, G, Johnson, L.N.
Deposit date:2006-01-16
Release date:2006-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The role of the phospho-CDK2/cyclin A recruitment site in substrate recognition.
J. Biol. Chem., 281, 2006
2G9X
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Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271
Descriptor: 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL, Cell division protein kinase 2, Cyclin-A2
Authors:Echalier, A, Endicott, J.A, Noble, M.E.
Deposit date:2006-03-07
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Searching for Cyclin-Dependent Kinase Inhibitors Using a New Variant of the Cope Elimination.
J.Am.Chem.Soc., 128, 2006
2CJM
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Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Welburn, J.P.I, Tucker, J, Johnson, T, Lindert, L, Morgan, M, Willis, A, Noble, M.E.M, Endicott, J.A.
Deposit date:2006-04-05
Release date:2006-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How Tyrosine 15 Phosphorylation Inhibits the Activity of Cyclin-Dependent Kinase 2-Cyclin A.
J.Biol.Chem., 282, 2007
2IVX
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Crystal structure of human cyclin T2 at 1.8 A resolution
Descriptor: 1,2-ETHANEDIOL, CYCLIN-T2
Authors:Debreczeni, J.E, Bullock, A.N, Fedorov, O, Savitsky, P, Berridge, G, Das, S, Pike, A.C.W, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Gorrec, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-06-21
Release date:2006-07-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
EMBO J., 27, 2008
2IW6
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BU of 2iw6 by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MAGNESIUM ION, ...
Authors:Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M.
Deposit date:2006-06-26
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2IW8
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MONOTHIOGLYCEROL, ...
Authors:Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M.
Deposit date:2006-06-27
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2IW9
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BU of 2iw9 by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MAGNESIUM ION, ...
Authors:Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M.
Deposit date:2006-06-27
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2I40
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BU of 2i40 by Molmil
Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor
Descriptor: 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, Cell division protein kinase 2, Cyclin-A2
Authors:Shewchuk, L.M.
Deposit date:2006-08-21
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase
Bioorg.Med.Chem.Lett., 16, 2006
2I53
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BU of 2i53 by Molmil
Crystal structure of Cyclin K
Descriptor: ACETATE ION, Cyclin K
Authors:Baek, K, Brown, R.S, Birrane, G, Ladias, J.A.A.
Deposit date:2006-08-23
Release date:2007-01-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Human Cyclin K, a Positive Regulator of Cyclin-dependent Kinase 9.
J.Mol.Biol., 366, 2007
2JGZ
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BU of 2jgz by Molmil
Crystal structure of phospho-CDK2 in complex with Cyclin B
Descriptor: CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN-B1
Authors:Brown, N.R, Petri, E, Lowe, E.D, Skamnaki, V, Johnson, L.N.
Deposit date:2007-02-17
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cyclin B and cyclin A confer different substrate recognition properties on CDK2.
Cell Cycle, 6, 2007
2UUE
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REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
Descriptor: 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ...
Authors:Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M.
Deposit date:2007-03-02
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2PK2
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BU of 2pk2 by Molmil
Cyclin box structure of the P-TEFb subunit Cyclin T1 derived from a fusion complex with EIAV Tat
Descriptor: Cyclin-T1, Protein Tat
Authors:Anand, K, Schulte, A, Fujinaga, K, Scheffzek, K, Geyer, M.
Deposit date:2007-04-17
Release date:2007-07-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Cyclin Box Structure of the P-TEFb Subunit Cyclin T1 Derived from a Fusion Complex with EIAV Tat.
J.Mol.Biol., 370, 2007
2UZB
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BU of 2uzb by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2UZD
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BU of 2uzd by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2UZE
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Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2UZL
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BU of 2uzl by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-30
Release date:2007-06-26
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2V22
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BU of 2v22 by Molmil
REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE
Authors:Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M.
Deposit date:2007-05-31
Release date:2008-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
3BHT
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BU of 3bht by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3
Descriptor: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
Deposit date:2007-11-29
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BHV
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BU of 3bhv by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B
Descriptor: 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
Deposit date:2007-11-29
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BHU
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BU of 3bhu by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5
Descriptor: 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
Deposit date:2007-11-29
Release date:2008-02-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BLQ
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BU of 3blq by Molmil
Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ...
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BLH
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BU of 3blh by Molmil
Crystal Structure of Human CDK9/cyclinT1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BLR
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BU of 3blr by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ...
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3DDQ
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Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
Descriptor: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008

220113

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