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

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5CQW	Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry 分子名称: 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha, ... 著者 Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. 登録日 2015-07-22 公開日 2015-09-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
5CU3	Crystal structure of CK2alpha bound to CAM4066 分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ... 著者 Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. 登録日 2015-07-24 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.787 Å) 主引用文献 Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
5CWZ	Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase 分子名称: TRAF2 and NCK-interacting protein kinase 著者 Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. 登録日 2015-07-28 公開日 2016-07-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 TNIK inhibition abrogates colorectal cancer stemness Nat Commun, 7, 2016
5D1J	CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032) 分子名称: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide 著者 Sack, J.S. 登録日 2015-08-04 公開日 2015-08-12 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent J.Med.Chem., 47, 2004
5CTP	Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound 分子名称: ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ... 著者 Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. 登録日 2015-07-24 公開日 2016-11-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.033 Å) 主引用文献 A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
3UZP	crystal structure of ck1d with PF670462 from P21 crystal form 分子名称: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta 著者 Huang, X. 登録日 2011-12-07 公開日 2012-01-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J.Med.Chem., 55, 2012
3UMX	Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one 分子名称: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION 著者 Parker, L.J, Handa, N, Yokoyama, S. 登録日 2011-11-15 公開日 2012-08-08 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
3V6S	Discovery of potent and selective covalent inhibitors of JNK 分子名称: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10 著者 Park, H, Laughlin, J.D, LoGrasso, P.V. 登録日 2011-12-20 公開日 2012-02-01 最終更新日 2012-07-25 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Discovery of potent and selective covalent inhibitors of JNK. Chem.Biol., 19, 2012
3V8S	Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18) 分子名称: 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea, Rho-associated protein kinase 1 著者 Martin, M.P, Zhu, J.-Yi, Schonbrunn, E. 登録日 2011-12-23 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.286 Å) 主引用文献 Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors. J.Med.Chem., 55, 2012
3VUG	Crystal structure of a cysteine-deficient mutant M2 in MAP kinase JNK1 分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION 著者 Nakaniwa, T, Kinoshita, T, Inoue, T. 登録日 2012-06-28 公開日 2013-02-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.24 Å) 主引用文献 Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VQH	Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Pflug, A, Johnson, K.A, Engh, R.A. 登録日 2012-03-23 公開日 2012-08-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89 Acta Crystallogr.,Sect.F, 68, 2012
3VC4	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-03 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VBX	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VN9	Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state 分子名称: 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION 著者 Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T. 登録日 2012-01-05 公開日 2012-02-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state J.Biochem., 151, 2012
3VUD	Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION 著者 Nakaniwa, T, Kinoshita, T, Inoue, T. 登録日 2012-06-28 公開日 2013-02-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VUM	Crystal structure of a cysteine-deficient mutant M7 in MAP kinase JNK1 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ... 著者 Nakaniwa, T, Kinoshita, T, Inoue, T. 登録日 2012-07-02 公開日 2013-02-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3W2C	Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV 分子名称: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A 著者 Oliveira, T.M, Kairies, N.A, Engh, R.A. 登録日 2012-11-28 公開日 2014-02-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding To be Published
3VBT	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VQU	CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide 分子名称: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION 著者 Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. 登録日 2012-03-30 公開日 2012-06-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
3VUH	Crystal structure of a cysteine-deficient mutant M3 in MAP kinase JNK1 分子名称: GLYCEROL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ... 著者 Nakaniwa, T, Kinoshita, T, Inoue, T. 登録日 2012-06-28 公開日 2013-02-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VUT	Crystal structures of non-phosphorylated MAP2K4 分子名称: Dual specificity mitogen-activated protein kinase kinase 4 著者 Matsumoto, T, Kinoshita, T, Kirii, Y, Tada, T, Yamano, A. 登録日 2012-07-05 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Crystal and solution structures disclose a putative transient state of mitogen-activated protein kinase kinase 4 Biochem.Biophys.Res.Commun., 425, 2012
3VBV	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VBQ	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VUL	Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1 著者 Nakaniwa, T, Kinoshita, T, Inoue, T. 登録日 2012-07-02 公開日 2013-02-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VUK	Crystal structure of a cysteine-deficient mutant M5 in MAP kinase JNK1 分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION 著者 Nakaniwa, T, Kinoshita, T, Inoue, T. 登録日 2012-07-02 公開日 2013-02-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012

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