PDB: 4939 件ウェブページステータス検索Chemie searchBIRD

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3ZLS	Crystal structure of MEK1 in complex with fragment 6 分子名称: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZM4	Crystal structure of MEK1 in complex with fragment 1 分子名称: 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-05 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZUU	The structure of OST1 (D160A, S175D) kinase in complex with gold 分子名称: 1,2-ETHANEDIOL, GOLD ION, Serine/threonine-protein kinase SRK2E 著者 Yunta, C, Martinez-Ripoll, M, Albert, A. 登録日 2011-07-20 公開日 2011-10-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress. J. Mol. Biol., 414, 2011
3ZSG	X-ray structure of p38alpha bound to TAK-715 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside 著者 Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. 登録日 2011-06-28 公開日 2012-06-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
3ZLY	Crystal structure of MEK1 in complex with fragment 8 分子名称: 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZO3	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors 分子名称: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... 著者 Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. 登録日 2013-02-20 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
3ZO2	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... 著者 Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. 登録日 2013-02-20 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
3ZU7	Crystal structure of a designed selected Ankyrin Repeat protein in complex with the MAP kinase ERK2 分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, MITOGEN-ACTIVATED PROTEIN KINASE 1 著者 Kummer, L, Mittl, P.R, Pluckthun, A. 登録日 2011-07-16 公開日 2012-06-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structural and Functional Analysis of Phosphorylation-Specific Binders of the Kinase Erk from Designed Ankyrin Repeat Protein Libraries. Proc.Natl.Acad.Sci.USA, 109, 2012
3ZO4	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... 著者 Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. 登録日 2013-02-20 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
3ZUV	Crystal structure of a designed selected Ankyrin Repeat protein in complex with the phosphorylated MAP kinase ERK2 分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION 著者 Kummer, L, Mittl, P.R, Pluckthun, A. 登録日 2011-07-20 公開日 2012-06-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Structural and Functional Analysis of Phosphorylation-Specific Binders of the Kinase Erk from Designed Ankyrin Repeat Protein Libraries. Proc.Natl.Acad.Sci.USA, 109, 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
4ANM	Complex of CK2 with a CDC7 inhibitor 分子名称: 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA 著者 Stout, T.J. 登録日 2012-03-20 公開日 2012-05-23 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
4AA5	P38ALPHA MAP KINASE BOUND TO CMPD 33 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE 著者 Gerhardt, S, Hargreaves, D. 登録日 2011-11-30 公開日 2012-05-16 最終更新日 2019-02-06 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
3ZYA	Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone 分子名称: 2-AMINO-PHENYLAMINO-DIBENZOSUBERONE, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Romir, J, Koeberle, S.C, Laufer, S.A, Stehle, T. 登録日 2011-08-18 公開日 2011-12-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Skepinone-L is a Selective P38 Mitogen-Activated Protein Kinase Inhibitor. Nat.Chem.Biol., 8, 2011
3ZLW	Crystal structure of MEK1 in complex with fragment 3 分子名称: (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ... 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZLX	Crystal structure of MEK1 in complex with fragment 18 分子名称: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZDU	Crystal structure of the human CDKL3 kinase domain 分子名称: 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ... 著者 Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. 登録日 2012-11-30 公開日 2013-03-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
4A9S	CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR 分子名称: 2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 著者 Matijssen, C, Silva-Santisteban, M.C, Westwood, I.M, Siddique, S, Choi, V, Sheldrake, P, van Montfort, R.L.M, Blagg, J. 登録日 2011-11-28 公開日 2012-10-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography. Bioorg.Med.Chem., 20, 2012
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
4APP	Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide 分子名称: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 著者 Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. 登録日 2012-04-04 公開日 2012-06-06 最終更新日 2019-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors. J.Med.Chem., 55, 2012
4A4O	CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR 分子名称: 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... 著者 Bertrand, J.A, Bossi, R.T. 登録日 2011-10-18 公開日 2012-01-11 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 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
4AA0	P38ALPHA MAP KINASE BOUND TO CMPD 2 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide 著者 Gerhardt, S, Hargreaves, D. 登録日 2011-11-30 公開日 2012-05-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
3WIL	Crystal structure of the CK2alpha/compound3 complex 分子名称: Casein kinase II subunit alpha, {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid 著者 Kinoshita, T, Nakanishi, I. 登録日 2013-09-18 公開日 2014-09-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening To be Published

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