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4S33	ERK2 R65S mutant complexed with AMP-PNP Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Livnah, O, Karamansha, Y, Tzarum, N. Deposit date: 2015-01-26 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
4S32	Crystal structure of ERK2 AMP-PNP complex Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Livnah, O, Karamansha, Y, Tzarum, N. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Crystal structure of ERK2 AMP-PNP complex To be Published
4S31	Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent To be Published
4S30	ERK2 intrinsically active mutant (I84A) Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent To be Published
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
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
4QTE	Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE Descriptor: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ... Authors: Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-07-07 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
4QTA	Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ... Authors: Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-07-07 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
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
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
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
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
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
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
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
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
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
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
4NX4	Re-refinement of CAP-1 HIV-CA complex Descriptor: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ... Authors: Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T. Deposit date: 2013-12-08 Release date: 2014-02-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Protein structural ensembles are revealed by redefining X-ray electron density noise. Proc.Natl.Acad.Sci.USA, 111, 2014
4NIF	Heterodimeric structure of ERK2 and RSK1 Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ... Authors: Gogl, G, Remenyi, A. Deposit date: 2013-11-06 Release date: 2014-11-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex Proc.Natl.Acad.Sci.USA, 112, 2015
4N4S	A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor Descriptor: 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1 Authors: Hari, S.B, Maly, D.J, Merritt, E.A. Deposit date: 2013-10-08 Release date: 2014-04-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases. Chem.Biol., 21, 2014
4N0S	Complex of ERK2 with caffeic acid Descriptor: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Kurinov, I, Malakhova, M. Deposit date: 2013-10-02 Release date: 2014-08-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7992 Å) Cite: Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis. Cancer Prev Res (Phila), 7, 2014
4MNE	Crystal structure of the BRAF:MEK1 complex Descriptor: 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. Deposit date: 2013-09-10 Release date: 2014-06-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.8483 Å) Cite: Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling. Cancer Cell, 26, 2014
4LQW	Crystal structure of HIV-1 capsid N-terminal domain in complex with NUP358 cyclophilin Descriptor: Capsid protein p24, E3 SUMO-protein ligase RanBP2 Authors: Price, A.J, James, L.C. Deposit date: 2013-07-19 Release date: 2013-08-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: HIV-1 capsid undergoes coupled binding and isomerization by the nuclear pore protein NUP358. Retrovirology, 10, 2013

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