7ASH
 
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7AUV
 | | 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
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1WKW
 | | Crystal structure of the ternary complex of eIF4E-m7GpppA-4EBP1 peptide | | Descriptor: | Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | | Authors: | Tomoo, K, Matsushita, Y, Fujisaki, H, Shen, X, Miyagawa, H, Kitamura, K, Miura, K, Ishida, T. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for mRNA Cap-Binding regulation of eukaryotic initiation factor 4E by 4E-binding protein, studied by spectroscopic, X-ray crystal structural, and molecular dynamics simulation methods
Biochim.Biophys.Acta, 1753, 2005
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1Y19
 | | Structural basis for phosphatidylinositol phosphate kinase type I-gamma binding to talin at focal adhesions | | Descriptor: | Phosphatidylinositol-4-phosphate 5-kinase, type 1 gamma, Talin 1 | | Authors: | de Pereda, J.M, Wegener, K, Santelli, E, Bate, N, Ginsberg, M.H, Critchley, D.R, Campbell, I.D, Liddington, R.C. | | Deposit date: | 2004-11-17 | | Release date: | 2005-01-04 | | Last modified: | 2016-11-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural bases for phosphatidylinositol phosphate kinase type I-gamma binding to talin at focal adhesions
J.Biol.Chem., 280, 2005
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6KZJ
 | | Crystal structure of Ankyrin B/NdeL1 complex | | Descriptor: | Ankyrin-2, Nuclear distribution protein nudE-like 1 | | Authors: | Ye, J, Li, J, Ye, F, Zhang, M, Zhang, Y, Wang, C. | | Deposit date: | 2019-09-24 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanistic insights into the interactions of dynein regulator Ndel1 with neuronal ankyrins and implications in polarity maintenance.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1CMZ
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1E6J
 | | Crystal structure of HIV-1 capsid protein (p24) in complex with Fab13B5 | | Descriptor: | CAPSID PROTEIN P24, IMMUNOGLOBULIN | | Authors: | Berthet-Colominas, C, Monaco, S, Novelli, A, Sibai, G, Mallet, F, Cusack, S. | | Deposit date: | 2000-08-18 | | Release date: | 2000-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mutual Conformational Adaptations in Antigen and Antibody Upon Complex Formation between an Fab and HIV-1 Capsid Protein P24
Structure, 8, 2000
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1EJH
 | | EIF4E/EIF4G PEPTIDE/7-METHYL-GDP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, EUKARYOTIC INITIATION FACTOR 4E, EUKARYOTIC INITIATION FACTOR 4GII | | Authors: | Marcotrigiano, J, Gingras, A.-C, Sonenberg, N, Burley, S.K. | | Deposit date: | 2000-03-02 | | Release date: | 2000-03-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cap-dependent translation initiation in eukaryotes is regulated by a molecular mimic of eIF4G.
Mol.Cell, 3, 1999
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6MS4
 | | Crystal structure of the DENR-MCT-1 complex | | Descriptor: | Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ... | | Authors: | Lomakin, I.B, Steitz, T.A, Dmitriev, S.E. | | Deposit date: | 2018-10-16 | | Release date: | 2019-01-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure of the DENR-MCT-1 complex revealed zinc-binding site essential for heterodimer formation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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5BVF
 | | 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
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5BXV
 | | eIF4E complex | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1 | | Authors: | Sekiyama, N, Arthanari, H, Papdopoulos, E, Rodriguez-Mias, R.A, Wagner, G, Leger-Abraham, M. | | Deposit date: | 2015-06-09 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism of the dual activity of 4EGI-1: Dissociating eIF4G from eIF4E but stabilizing the binding of unphosphorylated 4E-BP1.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5EYM
 | | MEK1 IN COMPLEX WITH BI 847325 | | Descriptor: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 | | Authors: | Bader, G, Reiser, U, Zahn, S.K, Treu, M. | | Deposit date: | 2015-11-25 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
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6WAP
 | | Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR | | Descriptor: | HIV-1 capsid protein | | Authors: | Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2020-03-25 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
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6X63
 | | Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR | | Descriptor: | HIV-1 capsid protein | | Authors: | Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2020-05-27 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
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5BVD
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-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
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5BVE
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)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 (2 Å) | | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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5BUE
 | | 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
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5BUJ
 | | 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
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5BX0
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8D3B
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2XDE
 | | Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain | | Descriptor: | GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | Authors: | Brown, D.G, Irving, S.L, Anderson, M, Bazin, R. | | Deposit date: | 2010-04-30 | | Release date: | 2010-12-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
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2Y4I
 | | KSR2-MEK1 heterodimer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... | | Authors: | Brennan, D.F, Barford, D. | | Deposit date: | 2011-01-06 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek
Nature, 472, 2011
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8EET
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8EEP
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