5HD4
 
 | | 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
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2JPR
 | | Joint refinement of the HIV-1 CA-NTD in complex with the assembly inhibitor CAP-1 | | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, Gag-Pol polyprotein | | Authors: | Kelly, B.N, Kyere, S, Kinde, I, Tang, C, Howard, B.R, Robinson, H, Sundquist, W.I, Summers, M.F, Hill, C.P. | | Deposit date: | 2007-05-22 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein
J.Mol.Biol., 373, 2007
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5HGP
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5HZE
 | | Mek1 adopts DFG-out conformation when bound to an analog of E6201. | | Descriptor: | (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION | | Authors: | Larsen, N.A, Bloudoff, K. | | Deposit date: | 2016-02-02 | | Release date: | 2017-05-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mek1 adopts DFG-out conformation when bound to an analog of E6201.
To Be Published
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5IRT
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2JGB
 | | Structure of human eIF4E homologous protein 4EHP with m7GTP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | | Deposit date: | 2007-02-12 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
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2JGC
 | | Structure of the human eIF4E homologous protein, 4EHP without ligand bound | | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | | Deposit date: | 2007-02-12 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
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5HGL
 | | Hexameric HIV-1 CA, open conformation | | 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: | 2016-01-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
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2H7D
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5HGN
 | | Hexameric HIV-1 CA, apo form | | Descriptor: | Capsid protein P24 | | Authors: | Jacques, D.A, Price, A.J, James, D.A. | | Deposit date: | 2016-01-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
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5HD7
 | | 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
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5HGM
 | | 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
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 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: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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2GOL
 | | Xray Structure of Gag278 | | Descriptor: | Capsid protein p24 (CA), Matrix protein p17 (MA), SULFATE ION | | Authors: | Kelly, B.N. | | Deposit date: | 2006-04-13 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278.
Biochemistry, 45, 2006
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2H7E
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2GON
 | | Xray Structure of Gag133-278 | | Descriptor: | CITRATE ANION, Capsid protein p24 (CA) | | Authors: | Kelly, B.N. | | Deposit date: | 2006-04-13 | | Release date: | 2006-09-26 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278.
Biochemistry, 45, 2006
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2LF4
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3I60
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3HXG
 | | 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
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3I5Z
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3HXI
 | | 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
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2M8L
 | | HIV capsid dimer structure | | Descriptor: | Capsid protein p24 | | Authors: | Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R. | | Deposit date: | 2013-05-23 | | Release date: | 2013-11-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
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5NHL
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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2M8P
 | | The structure of the W184AM185A mutant of the HIV-1 capsid protein | | Descriptor: | Capsid protein p24 | | Authors: | Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R. | | Deposit date: | 2013-05-24 | | Release date: | 2013-11-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
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2M8N
 | | HIV-1 capsid monomer structure | | Descriptor: | Capsid protein p24 | | Authors: | Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R. | | Deposit date: | 2013-05-24 | | Release date: | 2013-11-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
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