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1E1X
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BU of 1e1x by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027
Descriptor: 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
1E1V
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BU of 1e1v by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058
Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
5M55
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BU of 5m55 by Molmil
Nek2 bound to arylaminopurine 71
Descriptor: 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, CHLORIDE ION, SULFATE ION, ...
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
Descriptor: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Martin, M.P, Noble, M.E.M.
Deposit date:2016-08-19
Release date:2017-08-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5M51
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BU of 5m51 by Molmil
Nek2 bound to arylaminopurine compound 8
Descriptor: 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Yeoh, S.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M53
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BU of 5m53 by Molmil
Nek2 bound to arylaminopurine inhibitor 11
Descriptor: 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bayliss, R, Carr, K.H.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M57
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BU of 5m57 by Molmil
Nek2 bound to arylaminopurine 6
Descriptor: O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
1H1Q
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BU of 1h1q by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094
Descriptor: 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
7PUS
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BU of 7pus by Molmil
ERK5 in complex with Pyrrole Carboxamide scaffold
Descriptor: 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7
Authors:Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N.
Deposit date:2021-09-30
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
J.Med.Chem., 65, 2022
1OGU
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BU of 1ogu by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR
Descriptor: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2003-05-13
Release date:2003-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
1OI9
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BU of 1oi9 by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
Descriptor: 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2003-06-10
Release date:2004-07-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
1OIU
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BU of 1oiu by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
Descriptor: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2003-06-26
Release date:2004-07-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
1OIY
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BU of 1oiy by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
Descriptor: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2003-06-26
Release date:2004-07-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
1H1S
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BU of 1h1s by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
1H1P
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BU of 1h1p by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058
Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
1GZ8
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BU of 1gz8 by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine
Descriptor: 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL, CELL DIVISION PROTEIN KINASE 2
Authors:Davies, T, Endicott, J, Johnson, L, Noble, M, Tucker, J.
Deposit date:2002-05-17
Release date:2003-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
1H1R
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BU of 1h1r by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086
Descriptor: 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.
Nat. Struct. Biol., 9, 2002
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