4KRD
| Crystal Structure of Pho85-Pcl10 Complex | Descriptor: | Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10 | Authors: | Quiocho, F.A, Zheng, F. | Deposit date: | 2013-05-16 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition. J.Biol.Chem., 288, 2013
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4S21
| Crystal structure of the photosensory core module of bacteriophytochrome RPA3015 from R. palustris | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome (Light-regulated signal transduction histidine kinase), PhyB1 | Authors: | Yang, X, Stojkovi, E.A, Ozarowski, W.B, Moffat, K. | Deposit date: | 2015-01-17 | Release date: | 2015-07-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Light Signaling Mechanism of Two Tandem Bacteriophytochromes. Structure, 23, 2015
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4UAF
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6Q7T
| ERK2 mini-fragment binding | Descriptor: | 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-13 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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3QUE
| Human p38 MAP Kinase in Complex with Skepinone-L | Descriptor: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. | Deposit date: | 2011-02-23 | Release date: | 2012-01-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat.Chem.Biol., 8, 2012
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6QAH
| ERK2 mini-fragment binding | Descriptor: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6Q7S
| ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-13 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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1M1D
| TETRAHYMENA GCN5 WITH BOUND BISUBSTRATE ANALOG INHIBITOR | Descriptor: | HISTONE H3, TGCN5 HISTONE ACETYL TRANSFERASE | Authors: | Poux, A.N, Cebrat, M, Kim, C.M, Cole, P.A, Marmorstein, R. | Deposit date: | 2002-06-18 | Release date: | 2002-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the GCN5 histone acetyltransferase bound to a bisubstrate inhibitor. Proc.Natl.Acad.Sci.USA, 99, 2002
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3IW6
| Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | Descriptor: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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4TZ8
| Structure of human ATAD2 bromodomain bound to fragment inhibitor | Descriptor: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-09 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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6RQ4
| Inhibitor of ERK2 | Descriptor: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M. | Deposit date: | 2019-05-15 | Release date: | 2019-12-04 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2. Mol.Cancer Ther., 19, 2020
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3GG5
| Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | PHOSPHATE ION, SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | Deposit date: | 2009-02-27 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3UVP
| Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | Descriptor: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-11-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
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5FM6
| Double-heterohexameric rings of full-length Rvb1(ADP)Rvb2(apo) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, RVB1, ... | Authors: | Silva-Martin, N, Dauden, M.I, Glatt, S, Hoffmann, N.A, Mueller, C.W. | Deposit date: | 2015-11-02 | Release date: | 2016-01-20 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight Into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex. Plos One, 11, 2016
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1G5Y
| THE 2.0 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN TETRAMER IN THE PRESENCE OF A NON-ACTIVATING RETINOIC ACID ISOMER. | Descriptor: | RETINOIC ACID, RETINOIC ACID RECEPTOR RXR-ALPHA | Authors: | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E. | Deposit date: | 2000-11-02 | Release date: | 2001-05-02 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix. Genes Dev., 14, 2000
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3GCU
| Human P38 MAP kinase in complex with RL48 | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3RIN
| p38 kinase crystal structure in complex with small molecule inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | Authors: | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode. Bioorg.Med.Chem.Lett., 21, 2011
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3GCS
| Human P38 MAP kinase in complex with Sorafenib | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GCQ
| Human P38 MAP kinase in complex with RL45 | Descriptor: | 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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6IFY
| Type III-A Csm complex, Cryo-EM structure of Csm-CTR1 | Descriptor: | CTR1, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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4KRC
| Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex | Descriptor: | Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ... | Authors: | Quiocho, F.A, Zheng, F. | Deposit date: | 2013-05-16 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition. J.Biol.Chem., 288, 2013
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4TZ2
| Fragment-Based Screening of the Bromodomain of ATAD2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-09 | Release date: | 2014-10-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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4TYL
| Fragment-Based Screening of the Bromodomain of ATAD2 | Descriptor: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-08 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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3GCP
| Human P38 MAP Kinase in Complex with SB203580 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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1R39
| THE STRUCTURE OF P38ALPHA | Descriptor: | Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | Deposit date: | 2003-10-01 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering. Biochim.Biophys.Acta, 1696, 2004
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