4C38
| PKA-S6K1 Chimera with compound 21e (CCT239066) bound | Descriptor: | 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4C35
| PKA-S6K1 Chimera with compound 1 (NU1085) bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4C33
| PKA-S6K1 Chimera Apo | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4L44
| Crystal structures of human p70S6K1-T389A (form II) | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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4L46
| Crystal structures of human p70S6K1-WT | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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4L42
| Crystal structures of human p70S6K1-PIF | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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4L45
| Crystal structures of human p70S6K1-T389E | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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4L43
| Crystal structures of human p70S6K1-T389A (form I) | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein | Authors: | Wang, J, Zhong, C, Ding, J. | Deposit date: | 2013-06-07 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
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4KK1
| Crystal Structure of TSC1 core domain from S. pombe | Descriptor: | Tuberous sclerosis 1 protein homolog | Authors: | Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q. | Deposit date: | 2013-05-05 | Release date: | 2013-07-17 | Last modified: | 2013-07-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations. Nat Commun, 4, 2013
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4KK0
| Crystal Structure of TSC1 core domain from S. pombe | Descriptor: | Tuberous sclerosis 1 protein homolog | Authors: | Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q. | Deposit date: | 2013-05-05 | Release date: | 2013-07-17 | Last modified: | 2013-07-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations. Nat Commun, 4, 2013
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4JSN
| structure of mTORdeltaN-mLST8 complex | Descriptor: | Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JT6
| structure of mTORDeltaN-mLST8-PI-103 complex | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, mLST8, mTOR | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JSX
| structure of mTORDeltaN-mLST8-Torin2 complex | Descriptor: | 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JT5
| mTORdeltaN-mLST8-pp242 complex | Descriptor: | 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JSV
| mTOR kinase structure, mechanism and regulation. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ... | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JSP
| structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ... | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4FHK
| Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | Descriptor: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | Deposit date: | 2012-06-06 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4FA6
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4FAD
| Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR | Descriptor: | 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M. | Deposit date: | 2012-05-22 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR Bioorg.Med.Chem.Lett., 22, 2012
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4GV1
| PKB alpha in complex with AZD5363 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2012-08-30 | Release date: | 2013-02-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | 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
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4DRH
| Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low pH | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, SULFATE ION, ... | Authors: | Maerz, A.M, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Large FK506-Binding Proteins Shape the Pharmacology of Rapamycin. Mol.Cell.Biol., 33, 2013
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4DRJ
| o-crystal structure of the PPIase domain of FKBP52, Rapamycin and the FRB fragment of mTOR | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, SULFATE ION, ... | Authors: | Maerz, A.M, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large FK506-Binding Proteins Shape the Pharmacology of Rapamycin. Mol.Cell.Biol., 33, 2013
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4DRI
| Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, Serine/threonine-protein kinase mTOR | Authors: | Maerz, A.M, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Large FK506-Binding Proteins Shape the Pharmacology of Rapamycin. Mol.Cell.Biol., 33, 2013
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4FUL
| PI3 Kinase Gamma bound to a pyrmidine inhibitor | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | Deposit date: | 2012-06-28 | Release date: | 2012-10-17 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4F1S
| Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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