PDB: 495 resultsInfo pagesStatus searchChemie searchBIRD

---

6GES	Crystal structure of ERK1 covalently bound to SM1-71 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... Authors: Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2018-04-27 Release date: 2019-02-27 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
6FXV	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: 2018-03-09 Release date: 2019-03-20 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.53 Å) Cite: None To be published
6G91	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, 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 (1.8 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
6G9K	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~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.94 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
6GE0	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-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-25 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.82 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
6GJB	Erk2 signalling protein Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate Authors: O'Reilly, M. Deposit date: 2018-05-16 Release date: 2019-01-02 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
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
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
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
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
6GJD	Erk2 signalling protein Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-05-16 Release date: 2019-01-02 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
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
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
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
4WYM	Structural basis of HIV-1 capsid recognition by CPSF6 Descriptor: Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6 Authors: Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N. Deposit date: 2014-11-17 Release date: 2014-12-17 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
4XFZ	Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74) Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ... Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2014-12-29 Release date: 2015-06-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability. Science, 349, 2015
4XP3	Crystal structure of ERK2 in complex with an inhibitor Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. Deposit date: 2015-01-16 Release date: 2015-08-12 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.782 Å) Cite: Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
4XNE	Crystal structure of ERK2 in complex with an inhibitor Descriptor: 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION Authors: Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. Deposit date: 2015-01-15 Release date: 2015-08-12 Last modified: 2015-08-19 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
4XP2	Crystal structure of ERK2 in complex with an inhibitor Descriptor: 1-phenyl-1H-1,2,4-triazole-3,5-diamine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. Deposit date: 2015-01-16 Release date: 2015-08-12 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.748 Å) Cite: Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
4XFX	Structure of the native full-length HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2014-12-29 Release date: 2015-06-10 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.43 Å) Cite: STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability. Science, 349, 2015
4XOZ	Crystal structure of ERK2 in complex with an inhibitor Descriptor: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION Authors: Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. Deposit date: 2015-01-16 Release date: 2015-08-12 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
4XJ0	Crystal structure of ERK2 in complex with an inhibitor 14K Descriptor: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2015-01-08 Release date: 2015-09-16 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
4XFY	Structure of the native full-length dehydrated HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, PENTAETHYLENE GLYCOL Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2014-12-29 Release date: 2015-06-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability. Science, 349, 2015
4XRL	Crystal structure at room temperature of Erk2 in complex with an inhibitor Descriptor: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION Authors: Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. Deposit date: 2015-01-21 Release date: 2016-03-23 Last modified: 2016-03-30 Method: X-RAY DIFFRACTION (2.554 Å) Cite: Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
4XRO	Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) Descriptor: Capsid protein p24 Authors: Price, A.J, James, L.C. Deposit date: 2015-01-21 Release date: 2015-07-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.01 Å) Cite: HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry. J.Virol., 89, 2015

<234567891011121314151617>