7PUE
 
 | | Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a | | Descriptor: | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Sgk1 | | Authors: | Dreyer, M.K, Halland, N, Nazare, M. | | Deposit date: | 2021-09-29 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
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7APJ
 | | Structure of autoinhibited Akt1 reveals mechanism of PIP3-mediated activation | | Descriptor: | NB41, RAC-alpha serine/threonine-protein kinase,Non-specific serine/threonine protein kinase,RAC-alpha serine/threonine-protein kinase | | Authors: | Truebestein, L, Hornegger, H, Leonard, T.A. | | Deposit date: | 2020-10-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of autoinhibited Akt1 reveals mechanism of PIP 3 -mediated activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5F9E
 | | Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | | Descriptor: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | | Authors: | Klein, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
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9C1W
 | | Structure of AKT2 with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, RAC-beta serine/threonine-protein kinase | | Authors: | Craven, G.B, Ma, X, Taunton, J. | | Deposit date: | 2024-05-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
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2XH5
 | | Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2010-06-09 | | Release date: | 2010-06-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | 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
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6NPZ
 | | Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate | | Descriptor: | GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | Authors: | Chu, N, Cole, P.A, Gabelli, S.B. | | Deposit date: | 2019-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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8Q61
 | | Co-crystal structure of human AKT2 with compound 3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one, GLYCEROL, ... | | Authors: | Harrison, T, Barker, O. | | Deposit date: | 2023-08-10 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development.
Sci Rep, 12, 2022
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6ILZ
 | | Crystal structure of PKCiota in complex with inhibitor | | Descriptor: | 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide, Protein kinase C iota type | | Authors: | Baburajendran, N, Hill, J. | | Deposit date: | 2018-10-21 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.261 Å) | | Cite: | Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues.
Acs Med.Chem.Lett., 10, 2019
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5D9K
 | | Rsk2 N-terminal Kinase in Complex with BI-D1870 | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | | Authors: | Appleton, B.A. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
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8FP3
 | | PKCeta kinase domain in complex with compound 11 | | Descriptor: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | | Authors: | Johnson, E. | | Deposit date: | 2023-01-03 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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6BUU
 | | Crystal structure of AKT1 (aa 144-480) with a bisubstrate | | Descriptor: | GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | Authors: | Chu, N, Gabelli, S.B, Cole, P.A. | | Deposit date: | 2017-12-11 | | Release date: | 2018-08-22 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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6CCY
 | | Crystal structure of Akt1 in complex with a selective inhibitor | | Descriptor: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide | | Authors: | Wang, Y, Stout, S. | | Deposit date: | 2018-02-07 | | Release date: | 2018-05-02 | | Last modified: | 2018-05-16 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
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8FP1
 | | PKCeta kinase domain in complex with compound 2 | | Descriptor: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type | | Authors: | Johnson, E. | | Deposit date: | 2023-01-03 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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1XJD
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3TXO
 | | PKC eta kinase in complex with a naphthyridine | | Descriptor: | 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine, Protein kinase C eta type | | Authors: | Stark, W, Rummel, G, Cowan-Jacob, S.W. | | Deposit date: | 2011-09-23 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 2,6-Naphthyridines as potent and selective inhibitors of the novel protein kinase C isozymes.
Bioorg.Med.Chem.Lett., 21, 2011
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6S9W
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6S9X
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c | | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | | Authors: | Landel, I, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-07-15 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
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3WE4
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1ZRZ
 | | Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota | | Descriptor: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein kinase C, iota | | Authors: | Messerschmidt, A, Macieira, S, Velarde, M, Baedeker, M, Benda, C, Jestel, A, Brandstetter, H, Neuefeind, T, Blaesse, M, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-05-23 | | Release date: | 2005-09-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Atypical Protein Kinase C-iota Reveals Interaction Mode of Phosphorylation Site in Turn Motif
J.Mol.Biol., 352, 2005
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1GZN
 | | Structure of PKB kinase domain | | Descriptor: | RAC-BETA SERINE/THREONINE PROTEIN KINASE | | Authors: | Barford, D, Yang, J, Hemmings, B.A. | | Deposit date: | 2002-05-24 | | Release date: | 2003-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
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1GZO
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1GZK
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2R5T
 | | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G. | | Deposit date: | 2007-09-04 | | Release date: | 2008-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
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4Q9Z
 | | Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-02 | | Release date: | 2014-07-02 | | Last modified: | 2015-01-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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3HDN
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