PDB: 495 resultsInfo pagesStatus searchChemie searchBIRD

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3QYZ	Crystal structure of ERK2 in complex with an inhibitor Descriptor: 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... Authors: Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. Deposit date: 2011-03-04 Release date: 2011-08-24 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (1.46 Å) Cite: In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
3QYW	Crystal structure of ERK2 in complex with an inhibitor Descriptor: 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. Deposit date: 2011-03-04 Release date: 2011-08-24 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
3R63	Structure of ERK2 (SPE) mutant (S246E) Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2011-03-21 Release date: 2011-08-17 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Nuclear ERK translocation is mediated by protein kinase CK2 and accelerated by autophosphorylation. Mol.Cell.Biol., 31, 2011
3R90	Crystal structure of Malignant T cell-amplified sequence 1 protein Descriptor: GLYCEROL, Malignant T cell-amplified sequence 1, SULFATE ION, ... Authors: Hong, B, Dimov, S, Tempel, W, Tong, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2011-03-24 Release date: 2011-04-13 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of Malignant T cell-amplified sequence 1 protein to be published
3SA0	Complex of ERK2 with norathyriol Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, norathyriol Authors: Kurinov, I, Malakhova, M. Deposit date: 2011-06-02 Release date: 2011-12-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5947 Å) Cite: Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases. Cancer Res., 72, 2012
3SLS	Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP Descriptor: 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Meier, C, Ceska, T.A. Deposit date: 2011-06-25 Release date: 2012-02-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Engineering human MEK-1 for structural studies: A case study of combinatorial domain hunting. J.Struct.Biol., 177, 2012
3TEI	Crystal structure of human ERK2 complexed with a MAPK docking peptide Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 Authors: Gogl, G, Remenyi, A. Deposit date: 2011-08-15 Release date: 2012-08-15 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.404 Å) Cite: Specificity of linear motifs that bind to a common mitogen-activated protein kinase docking groove. Sci.Signal., 5, 2012
3U7X	Crystal structure of the human eIF4E-4EBP1 peptide complex without cap Descriptor: Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, SULFATE ION, ... Authors: Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2011-10-14 Release date: 2011-11-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Insights into the Allosteric Effects of 4EBP1 on the Eukaryotic Translation Initiation Factor eIF4E. J.Mol.Biol., 415, 2012
5U6I	Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity Descriptor: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION Authors: Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. Deposit date: 2016-12-08 Release date: 2017-03-15 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
5TSX	HIV-1 CA hexamer with NUP153 peptide - P1 crystal form Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, HIV-1 CA protein, Nuclear pore complex protein Nup153 Authors: Skorupka, K, Ganser-Pornillos, B.K, Pornillos, O. Deposit date: 2016-10-31 Release date: 2017-11-08 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.899 Å) Cite: HIV-1 CA hexamer with NUP153 peptide - P1 crystal form To Be Published
5TSV	HIV-1 CA hexamer with NUP153 peptide - R3 crystal form Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, HIV-1 CA protein, Nuclear pore complex protein Nup153 Authors: Skorupka, K, Ganser-Pornillos, B.K, Pornillos, O. Deposit date: 2016-10-31 Release date: 2017-11-08 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.502 Å) Cite: HIV-1 CA hexamer with NUP153 peptide - R3 crystal form To Be Published
5V60	Phospho-ERK2 bound to AMP-PCP Descriptor: GLYCEROL, MAGNESIUM ION, Mitogen-activated protein kinase 1, ... Authors: Lechtenberg, B.C, Riedl, S.J. Deposit date: 2017-03-15 Release date: 2017-07-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
5V61	Phospho-ERK2 bound to bivalent inhibitor SBP2 Descriptor: 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ... Authors: Lechtenberg, B.C, Riedl, S.J. Deposit date: 2017-03-15 Release date: 2017-07-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
5UMO	STRUCTURE OF EXTRACELLULAR SIGNAL-REGULATED KINASE Descriptor: Mitogen-activated protein kinase 1, SULFATE ION Authors: CHLEBOWICZ, J, ZHANG, F, GOLDSMITH, E.J. Deposit date: 2017-01-27 Release date: 2017-03-01 Last modified: 2022-04-13 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Atomic structure of the MAP kinase ERK2 at 2.3 A resolution. Nature, 367, 1994
5UPW	CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations Descriptor: Gag polyprotein Authors: Perilla, J.R. Deposit date: 2017-02-04 Release date: 2017-03-01 Last modified: 2022-03-30 Method: ELECTRON MICROSCOPY (5 Å) Cite: CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations. J Phys Chem B, 121, 2017
5V62	Phospho-ERK2 bound to bivalent inhibitor SBP3 Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ... Authors: Lechtenberg, B.C, Riedl, S.J. Deposit date: 2017-03-15 Release date: 2017-07-26 Last modified: 2019-12-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
5VVT	Structural Investigations of the Substrate Specificity of Human O-GlcNAcase Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ELK1 peptide, Protein O-GlcNAcase Authors: Li, B, Jiang, J, Li, H, Hu, C.-W. Deposit date: 2017-05-20 Release date: 2017-09-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase. Nat Commun, 8, 2017
5W4Q	Structure of the R18A/E28A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-06-12 Release date: 2018-06-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.285 Å) Cite: Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket. MBio, 10, 2019
5W4P	Structure of the E28A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-06-12 Release date: 2018-06-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket. MBio, 10, 2019
5W4O	Structure of the R18A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-06-12 Release date: 2018-06-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.093 Å) Cite: Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket. MBio, 10, 2019
6GDQ	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9D	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9M	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6GDM	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9N	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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