4UNR
| Mtb TMK in complex with compound 23 | 分子名称: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNN
| Mtb TMK in complex with compound 8 | 分子名称: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-29 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNP
| Mtb TMK in complex with compound 34 | 分子名称: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-01-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNQ
| Mtb TMK in complex with compound 36 | 分子名称: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNS
| Mtb TMK in complex with compound 40 | 分子名称: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4US2
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4URV
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4YNO
| |
4US0
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, GTPase HRas, Son of sevenless homolog 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4URZ
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4URX
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ... | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4URU
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4UWB
| Fibroblast growth factor receptor 1 kinase in complex with JK-P5 | 分子名称: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide, ... | 著者 | Beeston, H, Tucker, J, Kankanala, J. | 登録日 | 2014-08-11 | 公開日 | 2015-09-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase. Rapid Commun Mass Spectrom, 2021
|
|
4UWC
| Fibroblast growth factor receptor 1 kinase in complex with JK-P3 | 分子名称: | 1,2-ETHANEDIOL, 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | 著者 | Beeston, H, Tucker, J, Kankanala, J. | 登録日 | 2014-08-11 | 公開日 | 2015-09-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase. Rapid Commun Mass Spectrom, 2021
|
|
4MB9
| Structure of Streptococcus pneumonia ParE in complex with AZ13102335 | 分子名称: | 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ... | 著者 | Ogg, D, Tucker, J. | 登録日 | 2013-08-19 | 公開日 | 2013-10-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
|
|
4MBC
| Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | 分子名称: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | 著者 | Ogg, D, Tucker, J. | 登録日 | 2013-08-19 | 公開日 | 2013-10-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
|
|
1GZ8
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine | 分子名称: | 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL, CELL DIVISION PROTEIN KINASE 2 | 著者 | Davies, T, Endicott, J, Johnson, L, Noble, M, Tucker, J. | 登録日 | 2002-05-17 | 公開日 | 2003-06-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives J.Med.Chem., 45, 2002
|
|
4ACG
| GSK3b in complex with inhibitor | 分子名称: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | 著者 | Xue, Y, Ormo, M. | 登録日 | 2011-12-15 | 公開日 | 2012-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
|
|
4ACH
| GSK3b in complex with inhibitor | 分子名称: | 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | 著者 | Xue, Y, Ormo, M. | 登録日 | 2011-12-15 | 公開日 | 2012-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
|
|
4ACD
| GSK3b in complex with inhibitor | 分子名称: | 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | 著者 | Xue, Y, Ormo, M. | 登録日 | 2011-12-15 | 公開日 | 2012-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
|
|
4ACC
| GSK3b in complex with inhibitor | 分子名称: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | 著者 | Xue, Y, Ormo, M. | 登録日 | 2011-12-14 | 公開日 | 2012-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
|
|
4EYM
| MAPK13 complex with inhibitor | 分子名称: | 2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide, Mitogen-activated protein kinase 13 | 著者 | Miller, C.A, Brett, T.J. | 登録日 | 2012-05-01 | 公開日 | 2012-12-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | 主引用文献 | IL-13-induced airway mucus production is attenuated by MAPK13 inhibition. J.Clin.Invest., 122, 2012
|
|
4EYJ
| MAPK13 Complex with inhibitor | 分子名称: | 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea, Mitogen-activated protein kinase 13 | 著者 | Miller, C.A, Brett, T.J. | 登録日 | 2012-05-01 | 公開日 | 2012-12-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | IL-13-induced airway mucus production is attenuated by MAPK13 inhibition. J.Clin.Invest., 122, 2012
|
|
2BAL
| p38alpha MAP kinase bound to pyrazoloamine | 分子名称: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | 著者 | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | 登録日 | 2005-10-14 | 公開日 | 2005-12-06 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
|
|
2BAQ
| p38alpha bound to Ro3201195 | 分子名称: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | 著者 | Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A. | 登録日 | 2005-10-14 | 公開日 | 2005-12-06 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
|
|