PDB: 97 件ウェブページステータス検索Chemie searchBIRD

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4L42	Crystal structures of human p70S6K1-PIF 分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... 著者 Wang, J, Zhong, C, Ding, J. 登録日 2013-06-07 公開日 2013-07-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
4L46	Crystal structures of human p70S6K1-WT 分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... 著者 Wang, J, Zhong, C, Ding, J. 登録日 2013-06-07 公開日 2013-07-24 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
3OCB	Akt1 kinase domain with pyrrolopyrimidine inhibitor 分子名称: (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1) 著者 Morales, T.H, Vigers, G.P.A, Brandhuber, B.J. 登録日 2010-08-09 公開日 2010-09-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of pyrrolopyrimidine inhibitors of Akt. Bioorg.Med.Chem.Lett., 20, 2010
3MVH	Crystal structure of Akt-1-inhibitor complexes 分子名称: GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ... 著者 Pandit, J. 登録日 2010-05-04 公開日 2010-06-02 最終更新日 2021-10-06 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
3MV5	Crystal structure of Akt-1-inhibitor complexes 分子名称: (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ... 著者 Pandit, J. 登録日 2010-05-03 公開日 2010-06-02 最終更新日 2021-10-06 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
3QKL	Spirochromane Akt Inhibitors 分子名称: GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase 著者 Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. 登録日 2011-02-01 公開日 2011-03-30 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3OW4	Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors 分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase 著者 Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. 登録日 2010-09-17 公開日 2010-11-10 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3TXO	PKC eta kinase in complex with a naphthyridine 分子名称: 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine, Protein kinase C eta type 著者 Stark, W, Rummel, G, Cowan-Jacob, S.W. 登録日 2011-09-23 公開日 2011-11-30 最終更新日 2011-12-07 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 2,6-Naphthyridines as potent and selective inhibitors of the novel protein kinase C isozymes. Bioorg.Med.Chem.Lett., 21, 2011
4CRS	Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS 分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE N2, ... 著者 Mathea, S, Elkins, J.M, Shrestha, L, Szklarz, M, Tallant, C, Newman, J.A, Cooper, C.D, Shrestha, B, Tumber, A, Cocking, R, Salah, E, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Knapp, S. 登録日 2014-02-28 公開日 2014-03-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structure of Pkn2 To be Published
3A8W	Crystal Structure of PKCiota kinase domain 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION 著者 Takimura, T, Kamata, K. 登録日 2009-10-11 公開日 2010-05-05 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding Acta Crystallogr.,Sect.D, 66, 2010
6HHI	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
6HHF	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib 分子名称: Borussertib, RAC-alpha serine/threonine-protein kinase 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
3A8X	Crystal Structure of PKCiota kinase domain 分子名称: Protein kinase C iota type, SULFATE ION 著者 Takimura, T, Kamata, K. 登録日 2009-10-11 公開日 2010-05-05 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding Acta Crystallogr.,Sect.D, 66, 2010
2XH5	Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB 分子名称: 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE 著者 Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. 登録日 2010-06-09 公開日 2010-06-16 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
6HHJ	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
6HHH	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
4AW2	Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) 分子名称: 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA 著者 Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. 登録日 2012-05-30 公開日 2012-06-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
4DC2	Structure of PKC in Complex with a Substrate Peptide from Par-3 分子名称: ADENINE, Partitioning defective 3 homolog, Protein kinase C iota type 著者 Shang, Y, Wang, C, Yu, J, Zhang, M. 登録日 2012-01-17 公開日 2012-07-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Substrate recognition mechanism of atypical protein kinase Cs revealed by the structure of PKC iota in complex with a substrate peptide from Par-3 Structure, 20, 2012
6HHG	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
4EKL	Akt1 with GDC0068 分子名称: (2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one, RAC-alpha serine/threonine-protein kinase 著者 Wu, W.-I, Vigers, G.P.A, Morales, T.H, Brandhuber, B.J. 登録日 2012-04-09 公開日 2012-05-23 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt. Sci.Signal., 5, 2012
3A60	Crystal structure of unphosphorylated p70S6K1 (Form I) 分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE 著者 Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. 登録日 2009-08-17 公開日 2009-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
6ILZ	Crystal structure of PKCiota in complex with inhibitor 分子名称: 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide, Protein kinase C iota type 著者 Baburajendran, N, Hill, J. 登録日 2018-10-21 公開日 2019-06-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.261 Å) 主引用文献 Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues. Acs Med.Chem.Lett., 10, 2019
3A61	Crystal structure of unphosphorylated p70S6K1 (Form II) 分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE 著者 Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. 登録日 2009-08-18 公開日 2009-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.43 Å) 主引用文献 Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
3A62	Crystal structure of phosphorylated p70S6K1 分子名称: MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE 著者 Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. 登録日 2009-08-18 公開日 2009-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
4EJN	Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide 分子名称: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... 著者 Eathiraj, S. 登録日 2012-04-06 公開日 2012-05-23 最終更新日 2013-01-02 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012

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