4U0E
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![BU of 4u0e by Molmil](/molmil-images/mine/4u0e) | Hexameric HIV-1 CA in complex with PF3450074 | Descriptor: | CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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4U0F
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![BU of 4u0f by Molmil](/molmil-images/mine/4u0f) | Hexameric HIV-1 CA in Complex with BI-2 | Descriptor: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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4U0B
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![BU of 4u0b by Molmil](/molmil-images/mine/4u0b) | |
4U0D
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![BU of 4u0d by Molmil](/molmil-images/mine/4u0d) | Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form | Descriptor: | CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153 | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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4U81
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![BU of 4u81 by Molmil](/molmil-images/mine/4u81) | MEK1 Kinase bound to small molecule inhibitor G659 | Descriptor: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Weismann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4U7Z
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![BU of 4u7z by Molmil](/molmil-images/mine/4u7z) | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4U80
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![BU of 4u80 by Molmil](/molmil-images/mine/4u80) | MEK 1 kinase bound to G799 | Descriptor: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Ultsch, M.H, Robarge, K.D, Weismann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4UED
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5BUE
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![BU of 5bue by Molmil](/molmil-images/mine/5bue) | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | Deposit date: | 2015-06-03 | Release date: | 2015-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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4LQW
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![BU of 4lqw by Molmil](/molmil-images/mine/4lqw) | |
5BVF
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![BU of 5bvf by Molmil](/molmil-images/mine/5bvf) | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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4MNE
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![BU of 4mne by Molmil](/molmil-images/mine/4mne) | Crystal structure of the BRAF:MEK1 complex | Descriptor: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | Deposit date: | 2013-09-10 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8483 Å) | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling. Cancer Cell, 26, 2014
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4LMN
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![BU of 4lmn by Molmil](/molmil-images/mine/4lmn) | Crystal Structure of MEK1 kinase bound to GDC0973 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ultsch, M.H. | Deposit date: | 2013-07-10 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers. Nature, 501, 2013
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4ZXT
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![BU of 4zxt by Molmil](/molmil-images/mine/4zxt) | Complex of ERK2 with catechol | Descriptor: | AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ... | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2015-05-20 | Release date: | 2016-05-25 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer. Oncotarget, 7, 2016
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5AX3
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![BU of 5ax3 by Molmil](/molmil-images/mine/5ax3) | Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors. | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor | Authors: | Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A. | Deposit date: | 2015-07-14 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay Bioorg.Med.Chem.Lett., 26, 2016
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5BUJ
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![BU of 5buj by Molmil](/molmil-images/mine/5buj) | ERK2 complexed with a N-H tetrahydroazaindazole | Descriptor: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | Deposit date: | 2015-06-03 | Release date: | 2015-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5BX0
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5BXV
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![BU of 5bxv by Molmil](/molmil-images/mine/5bxv) | eIF4E complex | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1 | Authors: | Sekiyama, N, Arthanari, H, Papdopoulos, E, Rodriguez-Mias, R.A, Wagner, G, Leger-Abraham, M. | Deposit date: | 2015-06-09 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism of the dual activity of 4EGI-1: Dissociating eIF4G from eIF4E but stabilizing the binding of unphosphorylated 4E-BP1. Proc.Natl.Acad.Sci.USA, 112, 2015
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5BVD
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![BU of 5bvd by Molmil](/molmil-images/mine/5bvd) | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5BVE
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![BU of 5bve by Molmil](/molmil-images/mine/5bve) | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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4N4S
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![BU of 4n4s by Molmil](/molmil-images/mine/4n4s) | A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor | Descriptor: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1 | Authors: | Hari, S.B, Maly, D.J, Merritt, E.A. | Deposit date: | 2013-10-08 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases. Chem.Biol., 21, 2014
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4NIF
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![BU of 4nif by Molmil](/molmil-images/mine/4nif) | Heterodimeric structure of ERK2 and RSK1 | Descriptor: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ... | Authors: | Gogl, G, Remenyi, A. | Deposit date: | 2013-11-06 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex Proc.Natl.Acad.Sci.USA, 112, 2015
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4NX4
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![BU of 4nx4 by Molmil](/molmil-images/mine/4nx4) | Re-refinement of CAP-1 HIV-CA complex | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ... | Authors: | Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T. | Deposit date: | 2013-12-08 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein structural ensembles are revealed by redefining X-ray electron density noise. Proc.Natl.Acad.Sci.USA, 111, 2014
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4N0S
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![BU of 4n0s by Molmil](/molmil-images/mine/4n0s) | Complex of ERK2 with caffeic acid | Descriptor: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2013-10-02 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7992 Å) | Cite: | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis. Cancer Prev Res (Phila), 7, 2014
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5HGO
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![BU of 5hgo by Molmil](/molmil-images/mine/5hgo) | Hexameric HIV-1 CA R18G mutant | Descriptor: | Capsid protein P24 | Authors: | Jacques, D.A, James, L.C. | Deposit date: | 2016-01-08 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis. Nature, 536, 2016
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