PDB: 13258 resultsInfo pagesStatus searchChemie searchBIRD

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8AOC	Specific covalent inhibitor of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.62 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOA	Covalent and non-covalent inhibitor of ERK2 (two sites) Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.62 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOG	Non-specific covalent inhibitor(17) of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.603 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOH	Specific covalent inhibitor(18) of ERK2 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.6 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOI	Specific covalent inhibitor(19) of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.602 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO2	Specific covalent inhibitor (3) of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.796 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOD	Specific covalent inhibitor(14) of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.62 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO7	Specific covalent inhibitor (8) of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.61 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
4MNT	Crystal structure of human DJ-1 in complex with Cu Descriptor: COPPER (II) ION, Protein DJ-1 Authors: Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. Deposit date: 2013-09-11 Release date: 2014-03-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.584 Å) Cite: DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
8AOE	Specific covalent inhibitor(15) of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2023-05-24 Method: X-RAY DIFFRACTION (1.687 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
3D7Z	Crystal Structure of P38 Kinase in Complex with a biphenyl amide inhibitor Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide, ... Authors: Somers, D.O, Patel, S. Deposit date: 2008-05-22 Release date: 2008-07-22 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity. Bioorg.Med.Chem.Lett., 18, 2008
4QYY	Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. Deposit date: 2014-07-26 Release date: 2014-11-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
3S4Q	P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor Descriptor: 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 Authors: Sack, J.S. Deposit date: 2011-05-20 Release date: 2012-02-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
6K08	Crystal structure of REV7(R124A/A135D) in complex with a Shieldin3 fragment Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, SULFATE ION, Shieldin complex subunit 3 Authors: Zhang, F, Dai, Y. Deposit date: 2019-05-05 Release date: 2019-12-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.312 Å) Cite: Structural basis for shieldin complex subunit 3-mediated recruitment of the checkpoint protein REV7 during DNA double-strand break repair. J.Biol.Chem., 295, 2020
5VHR	Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ... Authors: Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. Deposit date: 2017-04-13 Release date: 2017-08-23 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (7.7 Å) Cite: Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
5VHN	Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ... Authors: Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. Deposit date: 2017-04-13 Release date: 2017-08-23 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (7.3 Å) Cite: Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
3FMM	P38 kinase crystal structure in complex with RO6226 Descriptor: 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Ghate, M. Deposit date: 2008-12-22 Release date: 2009-12-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: P38 kinase crystal structure in complex with RO6226 To be Published
5VHJ	Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ... Authors: Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. Deposit date: 2017-04-13 Release date: 2017-08-23 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (8.5 Å) Cite: Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
5VHQ	Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ... Authors: Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. Deposit date: 2017-04-13 Release date: 2017-08-23 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (8.9 Å) Cite: Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
3S3I	p38 kinase crystal structure in complex with small molecule inhibitor Descriptor: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 Authors: Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. Deposit date: 2011-05-18 Release date: 2012-04-04 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4S2Z	ERK2 Intrinsically active mutant R65S Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2015-01-25 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent To be Published
3FKN	P38 kinase crystal structure in complex with RO7125 Descriptor: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Ghate, M. Deposit date: 2008-12-17 Release date: 2009-12-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3FMH	P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Ghate, M. Deposit date: 2008-12-22 Release date: 2009-12-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
4N0M	Crystal structure of human C53A DJ-1 in complex with Cu Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 Authors: Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. Deposit date: 2013-10-02 Release date: 2014-03-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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

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