5UQ1
 
 | |
5UUU
 | | Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, ... | | Authors: | Hoffman, I.D, Lawson, J.D. | | Deposit date: | 2017-02-17 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
|
|
4FX3
 | |
4G17
 | |
3LJ1
 | | IRE1 complexed with Cdk1/2 Inhibitor III | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Lee, K.P.K, Sicheri, F. | | Deposit date: | 2010-01-25 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
|
|
4FZF
 | | Crystal structure of MST4-MO25 complex with DKI | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4 | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
|
|
3LQ5
 | | Structure of CDK9/CyclinT in complex with S-CR8 | | Descriptor: | (2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 9, Cyclin-T1 | | Authors: | Hole, A.J, Endicott, J.A, Baumli, S. | | Deposit date: | 2010-02-08 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | CDK Inhibitors Roscovitine and CR8 Trigger Mcl-1 Down-Regulation and Apoptotic Cell Death in Neuroblastoma Cells
Genes Cancer, 1, 2010
|
|
4FZD
 | | Crystal structure of MST4-MO25 complex with WSF motif | | Descriptor: | C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ... | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
|
|
3LJ0
 | | IRE1 complexed with ADP and Quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lee, K.P.K, Sicheri, F. | | Deposit date: | 2010-01-25 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
|
|
3O0G
 | | Crystal Structure of Cdk5:p25 in complex with an ATP analogue | | Descriptor: | Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone | | Authors: | Mapelli, M. | | Deposit date: | 2010-07-19 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation
Chem.Biol., 12, 2005
|
|
3NYO
 | | Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with AMP | | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, G protein-coupled receptor kinase 6, ... | | Authors: | Tesmer, J.J.G, Singh, P. | | Deposit date: | 2010-07-15 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Molecular basis for activation of G protein-coupled receptor kinases.
Embo J., 29, 2010
|
|
3MIA
 | | Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb | | Descriptor: | Cell division protein kinase 9, Cyclin-T1, MAGNESIUM ION, ... | | Authors: | Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. | | Deposit date: | 2010-04-09 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
|
|
4IH8
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Calmodulin-domain protein kinase 1 | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-18 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.877 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
To be Published
|
|
4IFG
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-14 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
To be Published
|
|
4II5
 | | Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. | | Deposit date: | 2012-12-19 | | Release date: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
|
|
3MV5
 | | Crystal structure of Akt-1-inhibitor complexes | | Descriptor: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ... | | Authors: | Pandit, J. | | Deposit date: | 2010-05-03 | | Release date: | 2010-06-02 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010
|
|
4G6L
 | | Crystal structure of human CDK8/CYCC in the DMG-in conformation | | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID | | Authors: | Schneider, E.V, Blaesse, M, Huber, R, Maskos, K. | | Deposit date: | 2012-07-19 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
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
|
|
4HGS
 | | Crystal structure of ck1gs with compound 13 | | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3 | | Authors: | Huang, X. | | Deposit date: | 2012-10-08 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of ck1gs with compound 13
Acs Med.Chem.Lett
|
|
4IM3
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ... | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.342 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
|
|
4IM2
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5001 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
|
|
4IM0
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4001 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
|
|
3NCG
 | |
4I3Z
 | | Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Cyclin-A2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks, C.L, Young, M.A. | | Deposit date: | 2012-11-27 | | Release date: | 2012-12-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Price To Be Paid for Two-Metal Catalysis: Magnesium Ions That Accelerate Chemistry Unavoidably Limit Product Release from a Protein Kinase
J.Am.Chem.Soc., 134, 2012
|
|
4IXP
 | |
