4DGE
 
 | | TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant, HIV-1 CA(O-loop) complex | | Descriptor: | TRIMCyp, capsid protein | | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | | Deposit date: | 2012-01-25 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
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4DGA
 | | TRIMCyp cyclophilin domain from Macaca mulatta: HIV-1 CA(O-loop) complex | | Descriptor: | TRIMCyp, capsid protein | | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | | Deposit date: | 2012-01-25 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
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6OPH
 | | phosphorylated ERK2 with GDC-0994 | | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | Authors: | Vigers, G.P, Smith, D. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OT6
 | | Rat ERK2 D319N | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Taylor, C.A, Goldsmith, E.J, Cobb, M.H. | | Deposit date: | 2019-05-02 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OPG
 | | phosphorylated ERK2 with AMP-PNP | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Vigers, G.P, Smith, D. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6H09
 | | HIV capsid hexamer with IP6 ligand | | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | | Authors: | James, L.C. | | Deposit date: | 2018-07-06 | | Release date: | 2018-08-15 | | Last modified: | 2020-10-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
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7OPM
 | | Phosphorylated ERK2 in complex with ORF45 | | Descriptor: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ... | | Authors: | Sok, P, Remenyi, A, Alexa, A, Poti, A. | | Deposit date: | 2021-06-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
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1WKW
 | | Crystal structure of the ternary complex of eIF4E-m7GpppA-4EBP1 peptide | | Descriptor: | Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | | Authors: | Tomoo, K, Matsushita, Y, Fujisaki, H, Shen, X, Miyagawa, H, Kitamura, K, Miura, K, Ishida, T. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for mRNA Cap-Binding regulation of eukaryotic initiation factor 4E by 4E-binding protein, studied by spectroscopic, X-ray crystal structural, and molecular dynamics simulation methods
Biochim.Biophys.Acta, 1753, 2005
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2Z7L
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7PQV
 | | MEK1 IN COMPLEX WITH COMPOUND 7 | | Descriptor: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Moebitz, H. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action.
J.Med.Chem., 65, 2022
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8PUH
 | | Structure of the immature HTLV-1 CA lattice from full-length Gag VLPs: CA-CTD refinement | | Descriptor: | Gag polyprotein | | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | | Deposit date: | 2023-07-17 | | Release date: | 2023-08-23 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice.
Nat.Struct.Mol.Biol., 2024
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8PUG
 | | Structure of the immature HTLV-1 CA lattice from full-length Gag VLPs: CA-NTD refinement | | Descriptor: | Gag polyprotein | | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | | Deposit date: | 2023-07-17 | | Release date: | 2023-08-23 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice.
Nat.Struct.Mol.Biol., 2024
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7QDF
 | | Hexameric HIV-1 (M-group) CA R120 mutant | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ... | | Authors: | Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
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2Y4I
 | | KSR2-MEK1 heterodimer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... | | Authors: | Brennan, D.F, Barford, D. | | Deposit date: | 2011-01-06 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek
Nature, 472, 2011
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1Y19
 | | Structural basis for phosphatidylinositol phosphate kinase type I-gamma binding to talin at focal adhesions | | Descriptor: | Phosphatidylinositol-4-phosphate 5-kinase, type 1 gamma, Talin 1 | | Authors: | de Pereda, J.M, Wegener, K, Santelli, E, Bate, N, Ginsberg, M.H, Critchley, D.R, Campbell, I.D, Liddington, R.C. | | Deposit date: | 2004-11-17 | | Release date: | 2005-01-04 | | Last modified: | 2016-11-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural bases for phosphatidylinositol phosphate kinase type I-gamma binding to talin at focal adhesions
J.Biol.Chem., 280, 2005
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6RFO
 | | ERK2 MAP kinase with the activation loop of p38alpha | | Descriptor: | Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1 | | Authors: | Livnah, O, Eitan-Wexler, M. | | Deposit date: | 2019-04-15 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
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5ONS
 | | Crystal structure of the minimal DENR-MCTS1 complex | | Descriptor: | Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ... | | Authors: | Ahmed, Y.L, Sinning, I. | | Deposit date: | 2017-08-04 | | Release date: | 2018-05-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | DENR-MCTS1 heterodimerization and tRNA recruitment are required for translation reinitiation.
PLoS Biol., 16, 2018
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7XLP
 | | MEK1 bound to DS03090629 | | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7XNC
 | | MEK1 bound to DS94070624 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7X4U
 | | Crystal structure of ERK2 with an allosteric inhibitor 2 | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Yoshida, M, Kinoshita, T. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for producing allosteric ERK2 inhibitors
To Be Published
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7XC1
 | | Crystal structure of ERK2 with an allosteric inhibitor 3 | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Yoshida, M, Kinoshita, T. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis for ERK2 allosteric inhibitors.
To Be Published
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7ASL
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7ASH
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7AUV
 | | The structure of ERK2 in complex with dual inhibitor ASTX029 | | 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-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | O'Reilly, M. | | Deposit date: | 2020-11-03 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK.
Mol.Cancer Ther., 20, 2021
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1EJH
 | | EIF4E/EIF4G PEPTIDE/7-METHYL-GDP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, EUKARYOTIC INITIATION FACTOR 4E, EUKARYOTIC INITIATION FACTOR 4GII | | Authors: | Marcotrigiano, J, Gingras, A.-C, Sonenberg, N, Burley, S.K. | | Deposit date: | 2000-03-02 | | Release date: | 2000-03-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cap-dependent translation initiation in eukaryotes is regulated by a molecular mimic of eIF4G.
Mol.Cell, 3, 1999
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