Author results

1Y8Y
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CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A PYRAZOLO[1,5-A]PYRIMIDINE INHIBITOR
Descriptor:Cell division protein kinase 2, (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE
Authors:Williamson, D.S., Parratt, M.J., Torrance, C.J., Bower, J.F., Moore, J.D., Richardson, C.M., Dokurno, P., Cansfield, A.D., Francis, G.L., Hebdon, R.J., Howes, R., Jackson, P.S., Lockie, A.M., Murray, J.B., Nunns, C.L., Powles, J., Robertson, A., Surgenor, A.E.
Deposit date:2004-12-14
Release date:2005-02-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
1Y91
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CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A PYRAZOLO[1,5-A]PYRIMIDINE INHIBITOR
Descriptor:Cell division protein kinase 2, 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
Authors:Williamson, D.S., Parratt, M.J., Torrance, C.J., Bower, J.F., Moore, J.D., Richardson, C.M., Dokurno, P., Cansfield, A.D., Francis, G.L., Hebdon, R.J., Howes, R., Jackson, P.S., Lockie, A.M., Murray, J.B., Nunns, C.L., Powles, J., Robertson, A., Surgenor, A.E.
Deposit date:2004-12-14
Release date:2005-02-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
2BR1
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL, SULFATE ION
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-04-29
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2BRB
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, SULFATE ION
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-05-04
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2BRG
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-05-05
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2BRH
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-05-05
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2BRM
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-05-09
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2BRN
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-05-09
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2BRO
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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL
Authors:Foloppe, N., Fisher, L.M., Howes, R., Kierstan, P., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2005-05-09
Release date:2005-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
2C68
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-08
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C69
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-08
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR.
Bioorg. Med. Chem. Lett., 16, 2006
2C6I
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C6K
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C6L
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C6M
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C6O
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR.
Bioorg. Med. Chem. Lett., 16, 2006
2C6T
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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Authors:Richardson, C.M., Dokurno, P., Murray, J.B., Surgenor, A.E.
Deposit date:2005-11-11
Release date:2005-12-07
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2CGU
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IDENTIFICATION OF CHEMICALLY DIVERSE CHK1 INHIBITORS BY RECEPTOR- BASED VIRTUAL SCREENING
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID
Authors:Foloppe, N., Fisher, L.M., Howes, R., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2006-03-09
Release date:2006-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening.
Bioorg.Med.Chem., 14, 2006
2CGV
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IDENTIFICATION OF CHEMICALLY DIVERSE CHK1 INHIBITORS BY RECEPTOR- BASED VIRTUAL SCREENING
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
Authors:Foloppe, N., Fisher, L.M., Howes, R., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2006-03-09
Release date:2006-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening.
Bioorg.Med.Chem., 14, 2006
2CGW
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IDENTIFICATION OF CHEMICALLY DIVERSE CHK1 INHIBITORS BY RECEPTOR- BASED VIRTUAL SCREENING
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE)
Authors:Foloppe, N., Fisher, L.M., Howes, R., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2006-03-09
Release date:2006-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening.
Bioorg.Med.Chem., 14, 2006
2CGX
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IDENTIFICATION OF CHEMICALLY DIVERSE CHK1 INHIBITORS BY RECEPTOR- BASED VIRTUAL SCREENING
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE
Authors:Foloppe, N., Fisher, L.M., Howes, R., Potter, A., Robertson, A.G.S., Surgenor, A.E.
Deposit date:2006-03-09
Release date:2006-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening.
Bioorg.Med.Chem., 14, 2006
2UZB
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CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE
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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CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
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:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
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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CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
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
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