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8G6O
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BU of 8g6o by Molmil
HIV-1 capsid lattice bound to IP6 and Lenacapavir
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
3MBL
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BU of 3mbl by Molmil
Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgADP
Descriptor: 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Dougan, D.R, Mol, C.D.
Deposit date:2010-03-25
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3M93
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BU of 3m93 by Molmil
Complex crystal structure of Ascaris suum eIF4E-3 with m7G cap
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, Translation initiation factor 4E
Authors:Liu, W, Berkeley Structural Genomics Center (BSGC)
Deposit date:2010-03-19
Release date:2011-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation.
Nucleic Acids Res., 39, 2011
3MGE
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BU of 3mge by Molmil
X-ray Structure of Hexameric HIV-1 CA
Descriptor: 1,2-ETHANEDIOL, Capsid protein p24
Authors:Pornillos, O.
Deposit date:2010-04-05
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Disulfide Bond Stabilization of the Hexameric Capsomer of Human Immunodeficiency Virus.
J.Mol.Biol., 401, 2010
6OPI
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BU of 6opi by Molmil
phosphorylated ERK2 with SCH-CPD336
Descriptor: (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, 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 (3 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
3R63
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BU of 3r63 by Molmil
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
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BU of 3r90 by Molmil
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
6OBH
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BU of 6obh by Molmil
Structure of HIV-1 CA 1/2-hexamer
Descriptor: CA, SODIUM ION
Authors:Summers, B.J, Xiong, Y.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms.
Cell Host Microbe, 26, 2019
5HD4
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BU of 5hd4 by Molmil
Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
5HGO
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BU of 5hgo by Molmil
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
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
6OPH
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BU of 6oph by Molmil
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
3HXI
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BU of 3hxi by Molmil
Crystal structure of Schistosome eIF4E complexed with m7GpppG and 4E-BP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Eukaryotic Translation Initiation 4E, Eukaryotic translation initiation factor 4E-binding protein 1
Authors:Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E.
Deposit date:2009-06-20
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
5IRT
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BU of 5irt by Molmil
Dimerization interface of the noncrystalline HIV-1 capsid protein lattice from solid state NMR spectroscopy of tubular assemblies
Descriptor: Capsid protein p24
Authors:Bayro, M.J, Tycko, R.
Deposit date:2016-03-14
Release date:2016-06-22
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of the Dimerization Interface in the Mature HIV-1 Capsid Protein Lattice from Solid State NMR of Tubular Assemblies.
J.Am.Chem.Soc., 138, 2016
5HD7
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BU of 5hd7 by Molmil
Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
5HGM
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BU of 5hgm by Molmil
Hexameric HIV-1 CA in complex with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 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 (2.04 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
3ORN
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BU of 3orn by Molmil
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP
Descriptor: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
Deposit date:2010-09-07
Release date:2011-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3OS3
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BU of 3os3 by Molmil
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP
Descriptor: 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
Deposit date:2010-09-08
Release date:2011-07-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3SA0
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BU of 3sa0 by Molmil
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
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BU of 3sls by Molmil
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
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
Descriptor: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3HXG
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BU of 3hxg by Molmil
Crystal structure of Schistsome eIF4E complexed with m7GpppA and 4E-BP
Descriptor: Eukaryotic Translation Initiation Factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE
Authors:Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E.
Deposit date:2009-06-20
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
3P0A
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BU of 3p0a by Molmil
X-ray structure of pentameric HIV-1 CA
Descriptor: HIV-1 CA
Authors:Pornillos, O.
Deposit date:2010-09-27
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (5.954 Å)
Cite:Atomic-level modelling of the HIV capsid.
Nature, 469, 2011
3P05
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BU of 3p05 by Molmil
X-ray structure of pentameric HIV-1 CA
Descriptor: HIV-1 CA, IODIDE ION
Authors:Pornillos, O.
Deposit date:2010-09-27
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic-level modelling of the HIV capsid.
Nature, 469, 2011
3TEI
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BU of 3tei by Molmil
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

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