Author results

2ZB0
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CRYSTAL STRUCTURE OF P38 IN COMPLEX WITH BIPHENYL AMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide, GLYCEROL
著者Somers, D.O.
登録日2007-10-13
公開日2008-01-15
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
4YJV
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
分子名称:Tyrosine-protein kinase SYK, 3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol
著者Somers, D.O., Neu, M., Stuckey, J.
登録日2015-03-03
公開日2015-10-14
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
to be published
2ZAZ
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CRYSTAL STRUCTURE OF P38 IN COMPLEX WITH 4-ANILINO QUINOLINE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, ACETATE ION, 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ...
著者Somers, D.O.
登録日2007-10-12
公開日2008-01-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
2ZB1
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CRYSTAL STRUCTURE OF P38 IN COMPLEX WITH BIPHENYL AMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide, GLYCEROL
著者Somers, D.O.
登録日2007-10-13
公開日2008-01-15
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
3D3P
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CRYSTAL STRUCTURE OF PDE4B CATALYTIC DOMAIN IN COMPLEX WITH A PYRAZOLOPYRIDINE INHIBITOR
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MAGNESIUM ION, ...
著者Somers, D.O., Neu, M.
登録日2008-05-12
公開日2009-05-19
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3D7Z
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CRYSTAL STRUCTURE OF P38 KINASE IN COMPLEX WITH A BIPHENYL AMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, SULFATE ION, N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide, ...
著者Somers, D.O., Patel, S.
登録日2008-05-22
公開日2008-07-22
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity.
Bioorg.Med.Chem.Lett., 18, 2008
3D83
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CRYSTAL STRUCTURE OF P38 KINASE IN COMPLEX WITH A BIPHENYL AMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide, GLYCEROL
著者Somers, D.O.
登録日2008-05-22
公開日2008-07-22
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes.
Bioorg.Med.Chem.Lett., 18, 2008
3E92
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CRYSTAL STRUCTURE OF P38 KINASE IN COMPLEX WITH A BIARYL AMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide, GLYCEROL
著者Somers, D.O., Patel, S.
登録日2008-08-21
公開日2008-09-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
3E93
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CRYSTAL STRUCTURE OF P38 KINASE IN COMPLEX WITH A BIARYL AMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide, GLYCEROL
著者Somers, D.O., Patel, S.
登録日2008-08-21
公開日2008-09-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
3FRG
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B IN COMPLEX WITH A QUINOLINE INHIBITOR
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ZINC ION, ...
著者Somers, D.O., Neu, M.
登録日2009-01-08
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Bioorg.Med.Chem.Lett., 19, 2009
3GWT
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B IN COMPLEX WITH A QUINOLINE INHIBITOR
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide, ZINC ION, ...
著者Somers, D.O., Neu, M.
登録日2009-04-01
公開日2010-04-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
Bioorg.Med.Chem.Lett., 19, 2009
3HMV
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B IN COMPLEX WITH A TETRAHYDROBENZOTHIOPHENE INHIBITOR
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MAGNESIUM ION, ...
著者Somers, D.O., Neu, M.
登録日2009-05-29
公開日2010-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode
Bioorg.Med.Chem., 17, 2009
3IPH
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CRYSTAL STRUCTURE OF P38 IN COMPLEX WITH A BIPHENYLAMIDE INHIBITOR
分子名称:Mitogen-activated protein kinase 14, 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, SULFATE ION, ...
著者Somers, D.O.
登録日2009-08-17
公開日2009-11-24
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52, 2009
3O56
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B IN COMPLEX WITH A 5-HETEROCYCLE PYRAZOLOPYRIDINE INHIBITOR
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MAGNESIUM ION, ...
著者Somers, D.O., Neu, M.
登録日2010-07-28
公開日2011-08-03
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3O57
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B IN COMPLEX WITH A 5-HETEROCYCLE PYRAZOLOPYRIDINE INHIBITOR
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MAGNESIUM ION, ...
著者Somers, D.O., Neu, M.
登録日2010-07-28
公開日2011-08-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3SRV
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX WITH A DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITOR
分子名称:Tyrosine-protein kinase SYK, 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL
著者Somers, D.O., Neu, M.
登録日2011-07-07
公開日2011-09-21
最終更新日2011-10-12
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
4L7S
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KINASE DOMAIN MUTANT OF HUMAN ITK IN COMPLEX WITH AN AMINOBENZOTHIAZOLE INHIBITOR
分子名称:Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol, SULFATE ION
著者Somers, D.O.
登録日2013-06-14
公開日2014-01-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
4YJO
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000222
分子名称:Tyrosine-protein kinase SYK, 5-chloro-N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, GLYCEROL
著者Somers, D.O., Neu, M.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJP
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223
分子名称:Tyrosine-protein kinase SYK, 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE
著者Somers, D.O., Neu, M.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJQ
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SYK KINASE DOMAIN IN COMPLEX WITH INHIBITOR GTC000224
分子名称:Tyrosine-protein kinase SYK, 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol
著者Somers, D.O., Neu, M., Stuckey, J.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJR
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SYK KINASE DOMAIN IN COMPLEX WITH INHIBITOR GTC000225
分子名称:Tyrosine-protein kinase SYK, 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
著者Somers, D.O., Neu, M., Stuckey, J.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJS
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000226
分子名称:Tyrosine-protein kinase SYK, 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol
著者Somers, D.O.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJT
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233
分子名称:Tyrosine-protein kinase SYK, GLYCEROL, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine
著者Somers, D.O., Neu, M., Stuckey, J.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJU
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249
分子名称:Tyrosine-protein kinase SYK, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine
著者Somers, D.O., Neu, M., Stuckey, J.
登録日2015-03-03
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
5BWT
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X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
分子名称:Branched-chain-amino-acid aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE, ...
著者Somers, D.O.
登録日2015-06-08
公開日2015-07-01
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015