4X7O
 
 | | Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor | | 分子名称: | 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | | 登録日 | 2014-12-09 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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4X2F
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2N
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X3F
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4X2G
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2J
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X7H
 | | Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor | | 分子名称: | Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION | | 著者 | Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H. | | 登録日 | 2014-12-09 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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4X7L
 | | Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | | 分子名称: | 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | | 登録日 | 2014-12-09 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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4X0M
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-21 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4XHH
 | | Structure of C. glabrata Hrr25, Apo state | | 分子名称: | PHOSPHATE ION, Similar to uniprot|P29295 Saccharomyces cerevisiae YPL204w HRR25 | | 著者 | Ye, Q, Corbett, K.D. | | 登録日 | 2015-01-05 | | 公開日 | 2016-01-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.908 Å) | | 主引用文献 | Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Embo J., 35, 2016
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4XP3
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.782 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XHL
 | | Structure of S. cerevisiae Hrr25 1-394 (K38R mutant) | | 分子名称: | Casein kinase I homolog HRR25, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION | | 著者 | Ye, Q, Corbett, K.D. | | 登録日 | 2015-01-05 | | 公開日 | 2016-01-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Embo J., 35, 2016
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4XNE
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-08-19 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XHK
 | | PIM1 kinase in complex with Compound 1s | | 分子名称: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Marcotte, D.J, Silvian, L.F. | | 登録日 | 2015-01-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4XP2
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XW6
 | | X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | 登録日 | 2015-01-28 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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4XW5
 | | X-ray structure of PKAc with ATP, CP20, calcium ions | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | 登録日 | 2015-01-28 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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4XH0
 | | Structure of C. glabrata Hrr25 bound to ADP (SO4 condition) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Similar to uniprot|P29295 Saccharomyces cerevisiae YPL204w HRR25 | | 著者 | Ye, Q, Corbett, K.D. | | 登録日 | 2015-01-04 | | 公開日 | 2016-01-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Embo J., 35, 2016
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4XOZ
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | 分子名称: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2015-01-08 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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4XHG
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4XRL
 | | Crystal structure at room temperature of Erk2 in complex with an inhibitor | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-21 | | 公開日 | 2016-03-23 | | 最終更新日 | 2016-03-30 | | 実験手法 | X-RAY DIFFRACTION (2.554 Å) | | 主引用文献 | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XH6
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6ISE
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4RVK
 | | CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide | | 分子名称: | N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1 | | 著者 | Wiesmann, C, Wu, P. | | 登録日 | 2014-11-26 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
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