6G54
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![BU of 6g54 by Molmil](/molmil-images/mine/6g54) | Crystal structure of ERK2 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-29 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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6GES
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![BU of 6ges by Molmil](/molmil-images/mine/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
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4XJ0
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![BU of 4xj0 by Molmil](/molmil-images/mine/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
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1WZY
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![BU of 1wzy by Molmil](/molmil-images/mine/1wzy) | |
4FMQ
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![BU of 4fmq by Molmil](/molmil-images/mine/4fmq) | |
1PME
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![BU of 1pme by Molmil](/molmil-images/mine/1pme) | |
5HZE
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![BU of 5hze by Molmil](/molmil-images/mine/5hze) | Mek1 adopts DFG-out conformation when bound to an analog of E6201. | Descriptor: | (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION | Authors: | Larsen, N.A, Bloudoff, K. | Deposit date: | 2016-02-02 | Release date: | 2017-05-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mek1 adopts DFG-out conformation when bound to an analog of E6201. To Be Published
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1TVO
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![BU of 1tvo by Molmil](/molmil-images/mine/1tvo) | The structure of ERK2 in complex with a small molecule inhibitor | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1 | Authors: | Kinoshita, T. | Deposit date: | 2004-06-30 | Release date: | 2005-09-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex Biochem.Biophys.Res.Commun., 336, 2005
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7OPM
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![BU of 7opm by Molmil](/molmil-images/mine/7opm) | Phosphorylated ERK2 in complex with ORF45 | Descriptor: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ... | Authors: | Sok, P, Remenyi, A, Alexa, A, Poti, A. | Deposit date: | 2021-06-01 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host. Nat Commun, 13, 2022
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2ZOQ
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![BU of 2zoq by Molmil](/molmil-images/mine/2zoq) | Structural dissection of human mitogen-activated kinase ERK1 | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 3, SODIUM ION, ... | Authors: | Kinoshita, T, Tada, T, Nakae, S, Yoshida, I. | Deposit date: | 2008-06-01 | Release date: | 2009-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of human mono-phosphorylated ERK1 at Tyr204 Biochem.Biophys.Res.Commun., 377, 2008
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7E75
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![BU of 7e75 by Molmil](/molmil-images/mine/7e75) | |
7E73
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![BU of 7e73 by Molmil](/molmil-images/mine/7e73) | |
8U8J
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![BU of 8u8j by Molmil](/molmil-images/mine/8u8j) | |
8U8K
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![BU of 8u8k by Molmil](/molmil-images/mine/8u8k) | |
3I5Z
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![BU of 3i5z by Molmil](/molmil-images/mine/3i5z) | |
3I60
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![BU of 3i60 by Molmil](/molmil-images/mine/3i60) | |
2Y9Q
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![BU of 2y9q by Molmil](/molmil-images/mine/2y9q) | Crystal structure of human ERK2 complexed with a MAPK docking peptide | Descriptor: | MAP KINASE-INTERACTING SERINE/THREONINE-PROTEIN KINASE 1, MITOGEN-ACTIVATED PROTEIN KINASE 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Barkai, T, Garai, A, Toeroe, I, Remenyi, A. | Deposit date: | 2011-02-16 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
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6SLG
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![BU of 6slg by Molmil](/molmil-images/mine/6slg) | HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. | Descriptor: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... | Authors: | Breed, J, Phillips, C. | Deposit date: | 2019-08-19 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J.Med.Chem., 62, 2019
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6RQ4
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![BU of 6rq4 by Molmil](/molmil-images/mine/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
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6D5Y
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![BU of 6d5y by Molmil](/molmil-images/mine/6d5y) | Crystal structure of ERK2 G169D mutant | Descriptor: | Mitogen-activated protein kinase 1 | Authors: | Yin, J, Jaiswal, B.S, Wang, W. | Deposit date: | 2018-04-19 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy. Clin. Cancer Res., 24, 2018
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6DMG
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![BU of 6dmg by Molmil](/molmil-images/mine/6dmg) | A multiconformer ligand model of EK6 bound to ERK2 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | Authors: | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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7NR9
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![BU of 7nr9 by Molmil](/molmil-images/mine/7nr9) | |
7NR8
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![BU of 7nr8 by Molmil](/molmil-images/mine/7nr8) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | O'Reilly, M, Cleasby, A. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.627 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7NR5
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![BU of 7nr5 by Molmil](/molmil-images/mine/7nr5) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7NR3
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![BU of 7nr3 by Molmil](/molmil-images/mine/7nr3) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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