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8EET
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T=1 particle HIV-1 CA M66A
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
登録日2022-09-07
公開日2023-02-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
8EEP
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BU of 8eep by Molmil
T=1 particle HIV-1 CA G60A/G61P
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
登録日2022-09-07
公開日2023-02-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
2FYS
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BU of 2fys by Molmil
Crystal structure of Erk2 complex with KIM peptide derived from MKP3
分子名称: Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1
著者Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y.
登録日2006-02-08
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3
Proc.Natl.Acad.Sci.Usa, 103, 2006
8D3B
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BU of 8d3b by Molmil
Hexameric HIV-1 (M-group) Q50Y/R120 mutant
分子名称: Capsid protein p24
著者Jacques, D.A, Govasli, M.L, Pinotsis, N, James, L.C.
登録日2022-06-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
8EJL
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BU of 8ejl by Molmil
Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide
分子名称: Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T, dos Santos, N.F.B.
登録日2022-09-17
公開日2023-02-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
4NIF
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BU of 4nif by Molmil
Heterodimeric structure of ERK2 and RSK1
分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ...
著者Gogl, G, Remenyi, A.
登録日2013-11-06
公開日2014-11-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex
Proc.Natl.Acad.Sci.USA, 112, 2015
4NX4
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BU of 4nx4 by Molmil
Re-refinement of CAP-1 HIV-CA complex
分子名称: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ...
著者Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T.
登録日2013-12-08
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protein structural ensembles are revealed by redefining X-ray electron density noise.
Proc.Natl.Acad.Sci.USA, 111, 2014
6VWS
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BU of 6vws by Molmil
Hexamer of Helical HIV capsid by RASTR method
分子名称: HIV capsid protein
著者Zhao, H, Iqbal, N, Asturias, F, Kvaratskhelia, M, Vanblerkom, P.
登録日2020-02-20
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.08 Å)
主引用文献Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
2G35
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NMR structure of talin-PTB in complex with PIPKI
分子名称: Talin-1, peptide
著者Kong, X, Wang, X, Misra, S, Qin, J.
登録日2006-02-17
公開日2006-05-02
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin.
J.Mol.Biol., 359, 2006
4O6E
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BU of 4o6e by Molmil
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2
分子名称: 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
著者Yin, J, Wang, W.
登録日2013-12-20
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
6V2W
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BU of 6v2w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
登録日2019-11-25
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
8F22
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HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
分子名称: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
著者Barnett, M.J, Goldstone, D.C.
登録日2022-11-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
6WAP
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BU of 6wap by Molmil
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
分子名称: HIV-1 capsid protein
著者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.
登録日2020-03-25
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
4N0S
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BU of 4n0s by Molmil
Complex of ERK2 with caffeic acid
分子名称: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Kurinov, I, Malakhova, M.
登録日2013-10-02
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7992 Å)
主引用文献Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
2GOL
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BU of 2gol by Molmil
Xray Structure of Gag278
分子名称: Capsid protein p24 (CA), Matrix protein p17 (MA), SULFATE ION
著者Kelly, B.N.
登録日2006-04-13
公開日2006-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278.
Biochemistry, 45, 2006
2H7E
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BU of 2h7e by Molmil
Solution structure of the talin F3 domain in complex with a chimeric beta3 integrin-PIP kinase peptide- minimized average structure
分子名称: Chimera of 24-mer peptide from Integrin beta-3 and 10-mer peptide from Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma, Talin-1
著者Wegener, K.L.
登録日2006-06-02
公開日2007-01-30
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structural basis of integrin activation by talin
CELL(CAMBRIDGE,MASS.), 128, 2007
2GON
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BU of 2gon by Molmil
Xray Structure of Gag133-278
分子名称: CITRATE ANION, Capsid protein p24 (CA)
著者Kelly, B.N.
登録日2006-04-13
公開日2006-09-26
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278.
Biochemistry, 45, 2006
2H7D
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BU of 2h7d by Molmil
Solution structure of the talin F3 domain in complex with a chimeric beta3 integrin-PIP kinase peptide
分子名称: Chimera of 24-mer peptide from Integrin beta-3 and 10-mer peptide from Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma, Talin-1
著者Wegener, K.L.
登録日2006-06-02
公開日2007-01-30
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structural basis of integrin activation by talin
CELL(CAMBRIDGE,MASS.), 128, 2007
8FIU
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BU of 8fiu by Molmil
Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold
分子名称: 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Nolte, R.T.
登録日2022-12-16
公開日2023-02-15
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
J.Med.Chem., 66, 2023
5BVE
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BU of 5bve by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
分子名称: 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
著者Ma, X, Steven, S.
登録日2015-06-05
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
8FZC
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BU of 8fzc by Molmil
HIV-2 Gag Capsid from Immature Virus-like Particles
分子名称: Spacer peptide 2
著者Talledge, N, Zhang, W, Mansky, L.M.
登録日2023-01-28
公開日2023-06-07
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation.
J.Mol.Biol., 435, 2023
5BUE
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ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
分子名称: 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
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BVF
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Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
分子名称: 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
著者Ma, X, Steven, S.
登録日2015-06-05
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BXV
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BU of 5bxv by Molmil
eIF4E complex
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1
著者Sekiyama, N, Arthanari, H, Papdopoulos, E, Rodriguez-Mias, R.A, Wagner, G, Leger-Abraham, M.
登録日2015-06-09
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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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