PDB: 495 resultsInfo pagesStatus searchChemie searchBIRD

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6QA1	ERK2 mini-fragment binding Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine 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 (1.58 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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
4O6E	Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide Authors: Yin, J, Wang, W. Deposit date: 2013-12-20 Release date: 2014-05-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
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
6R6Q	HIV capsid hexamer with IP5 ligand Descriptor: Gag polyprotein Authors: James, L.C. Deposit date: 2019-03-27 Release date: 2020-05-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.73 Å) Cite: HIV hexamer to be published
6RFP	ERK2 MAP kinase with mutations at Helix-G Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Eitan-Wexler, M. Deposit date: 2019-04-16 Release date: 2020-05-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.74 Å) Cite: The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
6RQ4	Inhibitor of ERK2 Descriptor: 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2019-05-15 Release date: 2019-12-04 Last modified: 2020-02-19 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2. Mol.Cancer Ther., 19, 2020
6RFO	ERK2 MAP kinase with the activation loop of p38alpha Descriptor: Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1 Authors: Livnah, O, Eitan-Wexler, M. Deposit date: 2019-04-15 Release date: 2020-05-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
4QP1	Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP9	Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP3	Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.599 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP4	Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QPA	Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QNB	Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor Descriptor: CAPSID PROTEIN P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE Authors: Pornillos, O. Deposit date: 2014-06-17 Release date: 2014-12-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.996 Å) Cite: Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
4QP7	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.249 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP6	Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP2	Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP8	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.446 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015

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