PDB: 957 resultsInfo pagesStatus searchChemie searchBIRD

---

6QAG	ERK2 mini-fragment binding Descriptor: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-19 Release date: 2019-03-27 Last modified: 2019-05-22 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QA4	ERK2 mini-fragment binding Descriptor: 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-18 Release date: 2019-06-26 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6PU1	Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide Descriptor: CHLORIDE ION, Gag polyprotein, IODIDE ION, ... Authors: Lindenberger, J.J, Kvaratskhelia, M. Deposit date: 2019-07-16 Release date: 2021-01-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide To Be Published
6QAQ	ERK2 mini-fragment binding Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-19 Release date: 2019-03-27 Last modified: 2019-05-22 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QAL	ERK2 mini-fragment binding Descriptor: 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-19 Release date: 2019-03-27 Last modified: 2019-05-22 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QAW	ERK2 mini-fragment binding Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-19 Release date: 2019-03-27 Last modified: 2019-05-22 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6Q7T	ERK2 mini-fragment binding Descriptor: 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-13 Release date: 2019-06-26 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QAH	ERK2 mini-fragment binding Descriptor: 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-19 Release date: 2019-06-26 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6Q7S	ERK2 mini-fragment binding Descriptor: Mitogen-activated protein kinase 1, PHENOL, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-13 Release date: 2019-06-26 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6ES8	HIV capsid hexamer with IP6 ligand Descriptor: Gag protein, INOSITOL HEXAKISPHOSPHATE Authors: James, L.C. Deposit date: 2017-10-19 Release date: 2018-08-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
6ECN	HIV-1 CA 1/2-hexamer-EE Descriptor: HIV-1 CA Authors: Summers, B.J, Xiong, Y. Deposit date: 2018-08-08 Release date: 2019-08-21 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms. Cell Host Microbe, 26, 2019
6EC2	Structure of HIV-1 CA 1/3-hexamer Descriptor: ACETATE ION, Capsid protein p24 Authors: Summers, B.J, Xiong, Y. Deposit date: 2018-08-07 Release date: 2019-08-21 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms. Cell Host Microbe, 26, 2019
6ECO	Hexamer-2-Foldon HIV-1 capsid platform Descriptor: HIV-1 capsid platform protein Authors: Summers, B.J, Xiong, Y. Deposit date: 2018-08-08 Release date: 2019-09-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (4.2 Å) Cite: Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms. Cell Host Microbe, 26, 2019
6FJB	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: 5'-O-prop-2-yn-1-yladenosine, Mitogen-activated protein kinase 1, SULFATE ION Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-22 Release date: 2019-02-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of ERK2 in complex with an adenosine derivative To be published
6FJ0	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-19 Release date: 2019-01-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.659 Å) Cite: Crystal structure of ERK2 in complex with an adenosine derivative To be published
6FLE	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: 2018-01-25 Release date: 2019-02-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.48 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
6FN5	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: 2018-02-02 Release date: 2019-03-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.932 Å) Cite: None To be published
6G8X	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-chloranyl-1~{H}-indazol-3-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 (1.76 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
6G9D	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]ethanamide Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.8 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
6G9M	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}-(2-phenylpropan-2-yl)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 (1.86 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
6GDM	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.91 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
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

<13141516171819202122232425262728>