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

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7NH5	Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6 分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2021-02-10 公開日 2021-09-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021
7N91	P70 S6K1 IN COMPLEX WITH MSC2317067A-1 分子名称: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 著者 Mochalkin, I. 登録日 2021-06-16 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
7N93	P70 S6K1 IN COMPLEX WITH MSC2363318A-1 分子名称: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 著者 Mochalkin, I. 登録日 2021-06-16 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
1MRY	crystal structure of an inactive akt2 kinase domain 分子名称: RAC-beta serine/threonine kinase 著者 Huang, X, Begley, M, Morgenstern, K.A, Gu, Y, Rose, P, Zhao, H, Zhu, X. 登録日 2002-09-18 公開日 2003-09-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of an inactive akt2 kinase domain Structure, 11, 2003
1O6K	Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP 分子名称: GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D. 登録日 2002-10-08 公開日 2002-11-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp Nat.Struct.Biol., 9, 2002
1O6L	Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide 分子名称: GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D. 登録日 2002-10-08 公開日 2002-11-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp Nat.Struct.Biol., 9, 2002
3IW4	Crystal structure of PKC alpha in complex with NVP-AEB071 分子名称: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type 著者 Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W. 登録日 2009-09-02 公開日 2009-11-03 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes J.Med.Chem., 52, 2009
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
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
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
4L44	Crystal structures of human p70S6K1-T389A (form II) 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 2024-03-20 実験手法 X-RAY DIFFRACTION (2.9 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
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
4L45	Crystal structures of human p70S6K1-T389E 分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein 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 2023-11-29 実験手法 X-RAY DIFFRACTION (2.9 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
4GV1	PKB alpha in complex with AZD5363 分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase 著者 Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L. 登録日 2012-08-30 公開日 2013-02-27 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases. J.Med.Chem., 56, 2013
4L43	Crystal structures of human p70S6K1-T389A (form I) 分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein 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 2024-03-20 実験手法 X-RAY DIFFRACTION (3 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
4EKK	Akt1 with AMP-PNP 分子名称: Glycogen synthase kinase-3 beta, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 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 (2.8 Å) 主引用文献 An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt. Sci.Signal., 5, 2012
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
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
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
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
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
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
3WF7	Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide 分子名称: 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... 著者 Niwa, H, Shirouzu, M, Yokoyama, S. 登録日 2013-07-17 公開日 2014-08-06 最終更新日 2014-10-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
3WF5	Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine 分子名称: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION 著者 Niwa, H, Shirouzu, M, Yokoyama, S. 登録日 2013-07-17 公開日 2014-08-06 最終更新日 2014-10-29 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014

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