3TUD
 
 | | Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide | | 分子名称: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK | | 著者 | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | | 登録日 | 2011-09-16 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
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3TUC
 | | Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide | | 分子名称: | 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | | 登録日 | 2011-09-16 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
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2PJT
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | | 分子名称: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | | 著者 | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | | 登録日 | 2007-04-16 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
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3FPM
 | | Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2 | | 分子名称: | 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione, MAP kinase-activated protein kinase 2 | | 著者 | Parris, K.D. | | 登録日 | 2009-01-05 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17, 2009
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5VIO
 | | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | | 分子名称: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | | 著者 | Jasti, J, Chang, J, Kurumbail, R. | | 登録日 | 2017-04-17 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
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5VIL
 | | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | | 分子名称: | 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | | 著者 | Jasti, J, Chang, J, Kurumbail, R. | | 登録日 | 2017-04-17 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
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3TUB
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5C27
 | | Crystal structure of SYK in complex with compound 2 | | 分子名称: | 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide, GLU-VAL-TYR-GLU-SER, GLYCEROL, ... | | 著者 | Han, S, Chang, J. | | 登録日 | 2015-06-15 | | 公開日 | 2015-10-07 | | 最終更新日 | 2016-02-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016
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5C26
 | | Crystal structure of SYK in complex with compound 1 | | 分子名称: | 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide, GLU-VAL-PTR-GLU-SER-PRO, Tyrosine-protein kinase SYK | | 著者 | Han, S, Chang, J. | | 登録日 | 2015-06-15 | | 公開日 | 2015-10-07 | | 最終更新日 | 2016-02-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016
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6NAO
 | | Discovery of a high affinity inhibitor of cGAS | | 分子名称: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | | 著者 | Hall, J. | | 登録日 | 2018-12-06 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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1ZTQ
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033 | | 分子名称: | CALCIUM ION, Collagenase 3, N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE, ... | | 著者 | Wu, J, Rush III, T.S, Hotchandani, R, Du, X, Geck, M, Collins, E, Xu, Z.B, Skotnicki, J, Levin, J.I, Lovering, F. | | 登録日 | 2005-05-27 | | 公開日 | 2006-05-30 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of potent and selective MMP-13 inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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3L38
 | | Bace1 in complex with the aminopyridine Compound 44 | | 分子名称: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | | 著者 | Olland, A.M, Chopra, R. | | 登録日 | 2009-12-16 | | 公開日 | 2010-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3L3A
 | | Bace-1 with the aminopyridine Compound 32 | | 分子名称: | 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1 | | 著者 | Olland, A.M, Chopra, R. | | 登録日 | 2009-12-16 | | 公開日 | 2010-04-28 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.362 Å) | | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5V8O
 | | Discovery of a high affinity inhibitor of cGAS | | 分子名称: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Hall, J. | | 登録日 | 2017-03-22 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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