Author results

2X9F
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D.
Deposit date:2010-03-17
Release date:2010-09-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 3: Identification of Non-Benzodioxole-Based Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2XA4
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INHIBITORS OF JAK2 KINASE DOMAIN
Descriptor:TYROSINE-PROTEIN KINASE JAK2, 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE
Authors:Read, J., Green, I., Pollard, H., Howard, T., Mott, R.
Deposit date:2010-03-26
Release date:2010-12-15
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
4UY9
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STRUCTURE OF MLK1 KINASE DOMAIN WITH LEUCINE ZIPPER 1
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
Authors:Read, J.A., Brassington, C., Pollard, H.K., Phillips, C., Green, I., Overmann, R., Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4UYA
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STRUCTURE OF MLK4 KINASE DOMAIN WITH ATPGAMMAS
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, MAGNESIUM ION
Authors:Read, J.A., Brassington, C., Pollard, H.K., Phillips, C., Green, I., Overmann, R., Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4C61
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INHIBITORS OF JAK2 KINASE DOMAIN
Descriptor:TYROSINE-PROTEIN KINASE JAK2, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, ACETATE ION
Authors:Read, J.A., Green, I., Pollard, H., Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C62
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INHIBITORS OF JAK2 KINASE DOMAIN
Descriptor:TYROSINE-PROTEIN KINASE JAK2, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, ACETATE ION
Authors:Read, J., Green, I., Pollard, H., Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
2VWU
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Rowsell, S., Packer, M., McAlister, M.
Deposit date:2008-06-27
Release date:2008-07-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
2VWV
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Kettle, J.G., Leach, A.G.
Deposit date:2008-06-27
Release date:2008-07-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
2VWW
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Leach, A.G., Kettle, J.G.
Deposit date:2008-06-27
Release date:2008-07-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
2VWX
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Leach, A.G., Kettle, J.G.
Deposit date:2008-06-27
Release date:2008-10-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VWY
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Leach, A.G., Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VWZ
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Leach, A.G., Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VX0
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Leach, A.G., Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VX1
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Leach, A.G., Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2XVD
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L.
Deposit date:2010-10-25
Release date:2011-06-08
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 4: Discovery and Optimization of a Benzylic Alcohol Series.
Bioorg.Med.Chem.Lett., 21, 2011
2YN8
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE
Authors:Read, J., Brassington, C.A., Overmann, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Stability and Solubility Engineering of the Ephb4 Tyrosine Kinase Catalytic Domain Using a Rationally Designed Synthetic Library.
Protein Eng.Des.Sel., 26, 2013
3S7B
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STRUCTURAL BASIS OF SUBSTRATE METHYLATION AND INHIBITION OF SMYD2
Descriptor:N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, (R,R)-2,3-BUTANEDIOL, ...
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7D
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STRUCTURAL BASIS OF SUBSTRATE METHYLATION AND INHIBITION OF SMYD2
Descriptor:N-lysine methyltransferase SMYD2, Monomethylated p53 peptide, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7F
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STRUCTURAL BASIS OF SUBSTRATE METHYLATION AND INHIBITION OF SMYD2
Descriptor:N-lysine methyltransferase SMYD2, p53 peptide, S-ADENOSYLMETHIONINE, ...
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7J
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STRUCTURAL BASIS OF SUBSTRATE METHYLATION AND INHIBITION OF SMYD2
Descriptor:N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3ZMM
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INHIBITORS OF JAK2 KINASE DOMAIN
Descriptor:TYROSINE-PROTEIN KINASE JAK2, 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP
Authors:Read, J., Green, I., Pollard, H., Howard, T., Mott, R.
Deposit date:2013-02-11
Release date:2013-04-17
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target.
Bioorg.Med.Chem.Lett., 23, 2013
4BB4
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L.
Deposit date:2012-09-19
Release date:2013-02-27
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
4DTK
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NOVEL AND SELECTIVE PAN-PIM KINASE INHIBITOR
Descriptor:Serine/threonine-protein kinase pim-1, 1,2-ETHANEDIOL, (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, ...
Authors:Ferguson, A.D.
Deposit date:2012-02-21
Release date:2012-07-11
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012