Author results

1QN2
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CYTOCHROME CH FROM METHYLOBACTERIUM EXTORQUENS
Descriptor:CYTOCHROME CH, HEME C
Authors:Read, J., Gill, R., Dales, S.L., Cooper, J.B., Wood, S.P., Anthony, C.
Deposit date:1999-10-13
Release date:2000-10-13
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Molecular Structure of an Unusual Cytochrome C2 Determined at 2.0A; the Cytochrome cH from Methylobacterium Extorquens
Protein Sci., 8, 1999
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:2017-06-28
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:2017-06-28
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:2017-06-28
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:2017-06-28
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:2017-06-28
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
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
2MNS
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SOLUTION NMR STRUCTURE OF THE REOVIRUS P15 FUSION-ASSOCIATED SMALL TRANSMEMBRANE (FAST) PROTEIN FUSION-INDUCING LIPID PACKING SENSOR (FLIPS) MOTIF IN DODECYL PHOSPHOCHOLINE (DPC) MICELLES
Descriptor:Membrane fusion protein p15
Authors:Sarker, M., Duncan, R., Read, J., Rainey, J.
Deposit date:2014-04-09
Release date:2014-04-23
Method:SOLUTION NMR
Cite:Novel helix-loop-helix fusion-inducing lipid packing sensor (FLiPS) for cell-cell fusion
To be Published
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:2018-04-04
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
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:2011-07-13
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:2017-06-28
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:2017-06-28
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
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:2018-04-04
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:2018-03-07
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
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:2017-06-28
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
2BGD
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
Descriptor:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, ...
Authors:Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BGE
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
Descriptor:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
Authors:Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2AIO
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METALLO BETA LACTAMASE L1 FROM STENOTROPHOMONAS MALTOPHILIA COMPLEXED WITH HYDROLYZED MOXALACTAM
Descriptor:Metallo-beta-lactamase L1, ZINC ION, SULFATE ION, ...
Authors:Spencer, J., Read, J., Sessions, R.B., Howell, S., Blackburn, G.M., Gamblin, S.J.
Deposit date:2005-07-30
Release date:2005-10-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005
2BAJ
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P38ALPHA BOUND TO PYRAZOLOUREA
Descriptor:Mitogen-activated protein kinase 14, 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
Authors:Gerhardt, S., Pauptit, R.A., Read, J., Breed, J., Norman, R.A., Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAK
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P38ALPHA MAP KINASE BOUND TO MPAQ
Descriptor:Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Authors:Gerhardt, S., Breed, J., Pauptit, R.A., Read, J., Norman, R.A., Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAL
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P38ALPHA MAP KINASE BOUND TO PYRAZOLOAMINE
Descriptor:Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Authors:Gerhardt, S., Pauptit, R.A., Read, J., Tucker, J., Norman, R.A., Breed, J.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAQ
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P38ALPHA BOUND TO RO3201195
Descriptor:Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Gerhardt, S., Pauptit, R.A., Breed, J., Read, J., Tucker, J., Norman, R.A.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
3TTZ
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CRYSTAL STRUCTURE OF A TOPOISOMERASE ATPASE INHIBITOR
Descriptor:DNA gyrase subunit B, 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A., Read, J., Eakin, A.E., Sherer, B.A.
Deposit date:2011-09-15
Release date:2011-11-16
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21, 2011
4H58
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BRAF IN COMPLEX WITH COMPOUND 3
Descriptor:Serine/threonine-protein kinase B-raf, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, CHLORIDE ION
Authors:Vasbinder, M., Aquila, B., Augustin, M., Chueng, T., Cook, D., Drew, L., Fauber, B., Glossop, S., Godin, R., Grondine, M., Hennessy, E., Johannes, J., Lee, S., Lyne, P., Moertl, M., Omer, C., Palakurthi, S., Pontz, T., Read, J., Sha, L., Shen, M., Steinbacher, S., Wang, H., Wu, A., Ye, M., Bagal, B.
Deposit date:2012-09-18
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
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