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7PUE
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Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a
分子名称: 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
著者Dreyer, M.K, Halland, N, Nazare, M.
登録日2021-09-29
公開日2021-12-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
7APJ
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BU of 7apj by Molmil
Structure of autoinhibited Akt1 reveals mechanism of PIP3-mediated activation
分子名称: NB41, RAC-alpha serine/threonine-protein kinase,Non-specific serine/threonine protein kinase,RAC-alpha serine/threonine-protein kinase
著者Truebestein, L, Hornegger, H, Leonard, T.A.
登録日2020-10-16
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of autoinhibited Akt1 reveals mechanism of PIP 3 -mediated activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5F9E
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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
分子名称: 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
著者Klein, M.
登録日2015-12-09
公開日2016-05-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
9C1W
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Structure of AKT2 with compound 3
分子名称: 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
著者Craven, G.B, Ma, X, Taunton, J.
登録日2024-05-29
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
2XH5
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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
6NPZ
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Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate
分子名称: GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
著者Chu, N, Cole, P.A, Gabelli, S.B.
登録日2019-01-18
公開日2019-01-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
8Q61
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Co-crystal structure of human AKT2 with compound 3
分子名称: 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, ...
著者Harrison, T, Barker, O.
登録日2023-08-10
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development.
Sci Rep, 12, 2022
6ILZ
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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
5D9K
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Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (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
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
8FP3
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PKCeta kinase domain in complex with compound 11
分子名称: (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
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
6BUU
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BU of 6buu by Molmil
Crystal structure of AKT1 (aa 144-480) with a bisubstrate
分子名称: GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
著者Chu, N, Gabelli, S.B, Cole, P.A.
登録日2017-12-11
公開日2018-08-22
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6CCY
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Crystal structure of Akt1 in complex with a selective inhibitor
分子名称: (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
著者Wang, Y, Stout, S.
登録日2018-02-07
公開日2018-05-02
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
8FP1
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BU of 8fp1 by Molmil
PKCeta kinase domain in complex with compound 2
分子名称: (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
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
1XJD
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BU of 1xjd by Molmil
Crystal Structure of PKC-theta complexed with Staurosporine at 2A resolution
分子名称: Protein kinase C, theta type, STAUROSPORINE
著者Xu, Z.B.
登録日2004-09-23
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic domain crystal structure of protein kinase C-theta (PKCtheta)
J.Biol.Chem., 279, 2004
3TXO
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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
6S9W
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6S9X
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
分子名称: 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
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
3WE4
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BU of 3we4 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-06-29
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
1ZRZ
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Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota
分子名称: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein kinase C, iota
著者Messerschmidt, A, Macieira, S, Velarde, M, Baedeker, M, Benda, C, Jestel, A, Brandstetter, H, Neuefeind, T, Blaesse, M, Structural Proteomics in Europe (SPINE)
登録日2005-05-23
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
1GZN
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Structure of PKB kinase domain
分子名称: RAC-BETA SERINE/THREONINE PROTEIN KINASE
著者Barford, D, Yang, J, Hemmings, B.A.
登録日2002-05-24
公開日2003-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
1GZO
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Structure of protein kinase B unphosphorylated
分子名称: RAC-BETA SERINE/THREONINE PROTEIN KINASE
著者Barford, D, Yang, J, Hemmings, B.A.
登録日2002-05-24
公開日2003-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
1GZK
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Molecular mechanism for the regulation of protein kinase B/Akt by hydrophobic motif phosphorylation
分子名称: RAC-BETA SERINE/THREONINE PROTEIN KINASE
著者Barford, D, Yang, J, Hemmings, B.A.
登録日2002-05-23
公開日2003-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
2R5T
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Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G.
登録日2007-09-04
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
4Q9Z
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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)
分子名称: (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
著者Argiriadi, M.A, George, D.M.
登録日2014-05-02
公開日2014-07-02
最終更新日2015-01-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
3HDN
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Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
分子名称: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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