PDB: 965 resultsInfo pagesStatus searchChemie searchBIRD

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6FI6	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-17 Release date: 2019-01-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of ERK2 in complex with an adenosine derivative To be published
6FRP	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: 5'-azido-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-02-16 Release date: 2019-03-13 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.53 Å) Cite: None To be published
6FQ7	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-02-13 Release date: 2019-03-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: None To be published
6FMA	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-30 Release date: 2019-03-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.667 Å) Cite: None To be published
6G97	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.9 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
6G9H	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]-~{N}-methyl-ethanamide Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.73 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
6G93	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.67 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
6G9J	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}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.98 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
6FR1	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-02-15 Release date: 2019-03-13 Method: X-RAY DIFFRACTION (1.561 Å) Cite: None To be published
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
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
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
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
7RAR	Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-02 Release date: 2022-09-28 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RJ2	Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ... Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-20 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RJ4	Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ... Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-20 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.32 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RHN	Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ... Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-17 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.46 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RHM	Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-17 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RAO	Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-02 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Structural and mechanistic bases of viral resistance to long-acting HIV-1 capsid inhibitor, Lenacapavir To Be Published
2OJG	Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION Authors: Xie, X, Jacobs, M.D. Deposit date: 2007-01-12 Release date: 2007-02-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors. J.Med.Chem., 50, 2007
2OJI	Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION Authors: Xie, X, Jacobs, M.D. Deposit date: 2007-01-12 Release date: 2007-02-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors. J.Med.Chem., 50, 2007
2OJJ	Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION Authors: Xie, X, Jacobs, M.D. Deposit date: 2007-01-12 Release date: 2007-02-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors. J.Med.Chem., 50, 2007
2P55	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP Descriptor: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Ohren, J.F, Pavlovsky, A.G. Deposit date: 2007-03-14 Release date: 2007-10-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.8 Å) Cite: 4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase. J.Med.Chem., 50, 2007
2PWO	Crystal Structure of HIV-1 CA146 A92E Psuedo Cell Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol) Authors: Kelly, B.N. Deposit date: 2007-05-11 Release date: 2007-09-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein. J.Mol.Biol., 373, 2007
2PWM	Crystal Structure of HIV-1 CA146 A92E real cell Descriptor: CHLORIDE ION, Gag-Pol polyprotein Authors: Kelly, B.N. Deposit date: 2007-05-11 Release date: 2007-09-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) 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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