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PDB: 33 件
5EI3
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Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: Eukaryotic translation initiation factor 4 gamma, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-10-29
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EKV
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Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-11-04
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EHC
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Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-10-28
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EIR
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Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-10-30
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
2X1N
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Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ...
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J.
登録日2009-12-31
公開日2010-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
6QF7
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Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ...
著者Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J.
登録日2019-01-09
公開日2019-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
2A0C
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Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
分子名称: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2
著者Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M.
登録日2005-06-16
公開日2006-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
2C5Y
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DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
分子名称: CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-03
公開日2006-03-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5O
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-10-30
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5X
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
著者Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-03
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5V
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ...
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-02
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5N
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-10-30
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2CLX
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4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects
分子名称: 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2
著者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.
登録日2006-05-02
公開日2006-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
2UUE
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REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
分子名称: 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, ...
著者Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M.
登録日2007-03-02
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2V8W
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Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
著者Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D.
登録日2007-08-16
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
2WFY
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Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: ARG-ARG-B3L-PHE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M.
登録日2009-04-15
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Truncation and Optimisation of Peptide Inhibitors of Cyclin-Dependent Kinase 2-Cyclin a Through Structure-Guided Design.
Chemmedchem, 4, 2009
2WEV
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Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: ARG-ARG-B3L-MEA, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M.
登録日2009-04-01
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Truncation and Optimisation of Peptide Inhibitors of Cyclin-Dependent Kinase 2-Cyclin a Through Structure-Guided Design.
Chemmedchem, 4, 2009
2V8X
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Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives
分子名称: 7-BENZYL GUANINE MONOPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
著者Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D.
登録日2007-08-16
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
2V8Y
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Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1, P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE
著者Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D.
登録日2007-08-16
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
2V22
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REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
分子名称: 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
著者Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M.
登録日2007-05-31
公開日2008-01-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2WHB
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Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: ARG-ARG-L3O-PFF, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M.
登録日2009-05-03
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Truncation and optimisation of peptide inhibitors of cyclin-dependent kinase 2-cyclin a through structure-guided design.
Chemmedchem, 4, 2009
2XMY
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Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents
分子名称: 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M.
登録日2010-07-29
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
2XNB
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Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents
分子名称: 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2
著者Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M.
登録日2010-08-01
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
3SAY
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Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
分子名称: (3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, ...
著者Mazanetz, M.P, Cheng, R.K.Y, Rowan, F, Laughton, C.A, Barker, J.J, Fischer, P.M.
登録日2011-06-03
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
To be Published
1PXO
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
分子名称: Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004

 

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