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5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
Descriptor: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5V62
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BU of 5v62 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP3
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
Descriptor: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
Deposit date:2018-12-10
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
5V60
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BU of 5v60 by Molmil
Phospho-ERK2 bound to AMP-PCP
Descriptor: GLYCEROL, MAGNESIUM ION, Mitogen-activated protein kinase 1, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
5LCJ
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BU of 5lcj by Molmil
In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Authors:O'Reilly, M, Wright, D.
Deposit date:2016-06-22
Release date:2016-07-20
Last modified:2016-08-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
5LCK
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BU of 5lck by Molmil
A Clickable Covalent ERK 1/2 Inhibitor
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
Authors:O'Reilly, M, Wright, D.
Deposit date:2016-06-22
Release date:2016-07-20
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
6OPI
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BU of 6opi by Molmil
phosphorylated ERK2 with SCH-CPD336
Descriptor: (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
5V61
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BU of 5v61 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP2
Descriptor: 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
6OPH
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BU of 6oph by Molmil
phosphorylated ERK2 with GDC-0994
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
3SA0
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BU of 3sa0 by Molmil
Complex of ERK2 with norathyriol
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, norathyriol
Authors:Kurinov, I, Malakhova, M.
Deposit date:2011-06-02
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5947 Å)
Cite:Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases.
Cancer Res., 72, 2012
5WP1
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BU of 5wp1 by Molmil
Complex of ERK2 with 5,7-dihydroxychromone
Descriptor: 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2017-08-03
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers
To Be Published
3TEI
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BU of 3tei by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1
Authors:Gogl, G, Remenyi, A.
Deposit date:2011-08-15
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Specificity of linear motifs that bind to a common mitogen-activated protein kinase docking groove.
Sci.Signal., 5, 2012
5BUE
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BU of 5bue by Molmil
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
Descriptor: 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
Descriptor: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
7AUV
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BU of 7auv by Molmil
The structure of ERK2 in complex with dual inhibitor ASTX029
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-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2020-11-03
Release date:2021-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK.
Mol.Cancer Ther., 20, 2021
5BVF
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BU of 5bvf by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
Descriptor: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Ma, X, Steven, S.
Deposit date:2015-06-05
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
4IZA
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BU of 4iza by Molmil
Structure of Dually Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
4IZ5
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BU of 4iz5 by Molmil
Structure of the complex between ERK2 phosphomimetic mutant and PEA-15
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ...
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
4IZ7
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BU of 4iz7 by Molmil
Structure of Non-Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, SODIUM ION
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
7W5O
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BU of 7w5o by Molmil
Crystal structure of ERK2 with an allosteric inhibitor
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Yoshida, M, Kinoshita, T.
Deposit date:2021-11-30
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
7X4U
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BU of 7x4u by Molmil
Crystal structure of ERK2 with an allosteric inhibitor 2
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Yoshida, M, Kinoshita, T.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for producing allosteric ERK2 inhibitors
To Be Published
7XC1
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BU of 7xc1 by Molmil
Crystal structure of ERK2 with an allosteric inhibitor 3
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Yoshida, M, Kinoshita, T.
Deposit date:2022-03-22
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis for ERK2 allosteric inhibitors.
To Be Published

221051

數據於2024-06-12公開中

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