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4XOY
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BU of 4xoy by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XP0
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BU of 4xp0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XRJ
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BU of 4xrj by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-21
Release date:2015-08-12
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XRQ
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BU of 4xrq by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) in complex with PF-3450074
Descriptor: Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Price, A.J, James, L.C.
Deposit date:2015-01-21
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
3HXG
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BU of 3hxg by Molmil
Crystal structure of Schistsome eIF4E complexed with m7GpppA and 4E-BP
Descriptor: Eukaryotic Translation Initiation Factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE
Authors:Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E.
Deposit date:2009-06-20
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
3H85
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BU of 3h85 by Molmil
Molecular basis for the association of PIPKI gamma-p90 with the clathrin adaptor AP-2
Descriptor: AP-2 complex subunit mu-1, NICKEL (II) ION, Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma
Authors:Vahedi-Faridi, A, Kahlfeldt, N, Schaefer, J.G, Haucke, V.
Deposit date:2009-04-28
Release date:2009-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis for association of PIPKI gamma-p90 with clathrin adaptor AP-2.
J.Biol.Chem., 285, 2010
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3H4E
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BU of 3h4e by Molmil
X-ray Structure of Hexameric HIV-1 CA
Descriptor: Capsid protein p24
Authors:Pornillos, O.
Deposit date:2009-04-19
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:X-ray structures of the hexameric building block of the HIV capsid.
Cell(Cambridge,Mass.), 137, 2009
3HXI
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BU of 3hxi by Molmil
Crystal structure of Schistosome eIF4E complexed with m7GpppG and 4E-BP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Eukaryotic Translation Initiation 4E, Eukaryotic translation initiation factor 4E-binding protein 1
Authors:Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E.
Deposit date:2009-06-20
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
Descriptor: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
Descriptor: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
7M0V
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BU of 7m0v by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0W
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BU of 7m0w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Pimasertib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0U
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BU of 7m0u by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Binimetinib
Descriptor: 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0T
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BU of 7m0t by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib
Descriptor: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0Y
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BU of 7m0y by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0Z
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BU of 7m0z by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
Descriptor: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
7MN0
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BU of 7mn0 by Molmil
N74D mutant of the HIV-1 capsid protein
Descriptor: IODIDE ION, capsid protein
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-04-30
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MKC
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BU of 7mkc by Molmil
N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
Descriptor: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7M0X
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BU of 7m0x by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and PD0325901
Descriptor: CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MFF
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BU of 7mff by Molmil
Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor
Descriptor: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
Deposit date:2021-04-09
Release date:2022-01-26
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
7N9V
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BU of 7n9v by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
Descriptor: Capsid protein, Nanobody-GYAR
Authors:Tripler, T.N.
Deposit date:2021-06-18
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
7N9U
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BU of 7n9u by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
Descriptor: Capsid protein, Nanobody
Authors:Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y.
Deposit date:2021-06-18
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
7MFE
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BU of 7mfe by Molmil
Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION
Authors:Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
Deposit date:2021-04-09
Release date:2022-01-26
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022

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PDB entries from 2024-09-11

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