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6I4X
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BU of 6i4x by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide
分子名称: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ...
著者Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
登録日2018-11-12
公開日2019-05-29
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
6FMJ
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BU of 6fmj by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
6Y0A
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BU of 6y0a by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH BI00690300
分子名称: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
著者Bader, G, Boettcher, J.
登録日2020-02-07
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Human Cyclin-Dependent Kinase8/Cyclinc In Complex With Ligand 30180596
To Be Published
6ZQS
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BU of 6zqs by Molmil
Crystal structure of double-phosphorylated p38alpha with ATF2(83-102)
分子名称: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14
著者Kirsch, K, Sok, P, Poti, A.L, Remenyi, A.
登録日2020-07-10
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020
8DCP
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BU of 8dcp by Molmil
PI 3-kinase alpha with nanobody 3-126
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
4MFB
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BU of 4mfb by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2013-08-27
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group.
J.Am.Chem.Soc., 135, 2013
8DCX
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BU of 8dcx by Molmil
PI 3-kinase alpha with nanobody 3-159
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DHB
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BU of 8dhb by Molmil
Active FLCN GAP complex
分子名称: BERYLLIUM TRIFLUORIDE ION, Folliculin, Folliculin-interacting protein 2, ...
著者Jansen, R.M, Hurley, J.H.
登録日2022-06-25
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural basis for FLCN RagC GAP activation in MiT-TFE substrate-selective mTORC1 regulation.
Sci Adv, 8, 2022
6GFX
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BU of 6gfx by Molmil
pVHL:EloB:EloC in complex with modified HIF-1a CODD peptide containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 13a)
分子名称: Elongin-B, Elongin-C, FLUORINATED HYPOXIA-INDUCIBLE FACTOR 1 ALPHA PEPTIDE, ...
著者Castro, G.V, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
6GFZ
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BU of 6gfz by Molmil
pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b)
分子名称: (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
1LE8
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BU of 1le8 by Molmil
Crystal Structure of the MATa1/MATalpha2-3A Heterodimer Bound to DNA Complex
分子名称: 5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*CP*AP*TP*CP*A)-3', 5'-D(*TP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*AP*CP*AP*TP*G)-3', MATING-TYPE PROTEIN A-1, ...
著者Ke, A, Mathias, J.R, Vershon, A.K, Wolberger, C.
登録日2002-04-09
公開日2002-05-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Thermodynamic Characterization of the DNA Binding Properties of a Triple Alanine Mutant of MATalpha2
Structure, 10, 2002
8FC7
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BU of 8fc7 by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745
分子名称: 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Kwon, D.H, Lee, S.-Y, Zhang, F.
登録日2022-12-01
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FC9
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BU of 8fc9 by Molmil
Cryo-EM structure of the human TRPV4 - RhoA, apo condition
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ...
著者Kwon, D.H, Lee, S.-Y, Zhang, F.
登録日2022-12-01
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FCB
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BU of 8fcb by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ...
著者Kwon, D.H, Lee, S.-Y, Zhang, F.
登録日2022-12-01
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
4P3Y
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BU of 4p3y by Molmil
Crystal structure of Acinetobacter baumannii DsbA in complex with EF-Tu
分子名称: Elongation factor Tu 1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Premkumar, L, Martin, J.L.
登録日2014-03-10
公開日2014-06-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Structure of the Acinetobacter baumannii Dithiol Oxidase DsbA Bound to Elongation Factor EF-Tu Reveals a Novel Protein Interaction Site.
J.Biol.Chem., 289, 2014
5WKN
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BU of 5wkn by Molmil
Crystal structure of the parainfluenza virus 5 nucleoprotein-phosphoprotein complex
分子名称: Nucleoprotein, Phosphoprotein
著者Aggarwal, M, Leser, G.P, Kors, C.A, Lamb, R.A.
登録日2017-07-25
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Structure of the Paramyxovirus Parainfluenza Virus 5 Nucleoprotein in Complex with an Amino-Terminal Peptide of the Phosphoprotein.
J. Virol., 92, 2018
7O0H
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BU of 7o0h by Molmil
Structure of the foamy viral protease-reverse transcriptase dRH in complex with ds DNA.
分子名称: DNA (5'-D(*AP*AP*CP*AP*GP*AP*GP*TP*GP*CP*GP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), Pr125Pol
著者Nowak, E, Nowacka, M, Nowotny, M.
登録日2021-03-26
公開日2021-06-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structures of Substrate Complexes of Foamy Viral Protease-Reverse Transcriptase.
J.Virol., 95, 2021
1HU0
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BU of 1hu0 by Molmil
CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX
分子名称: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE, ...
著者Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
登録日2001-01-03
公開日2003-02-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Product-Assisted Catalysis in base-excision DNA Repair
Nat.Struct.Biol., 10, 2003
6FMI
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BU of 6fmi by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-oxopropan-2-yl)acetamide (ligand 2)
分子名称: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
6GMX
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BU of 6gmx by Molmil
pVHL:EloB:EloC in complex with 6-chlorothiochroman-4-one
分子名称: 6-chloranyl-2,3-dihydrothiochromen-4-one, ACETATE ION, Elongin-B, ...
著者Van Molle, I, Lucas, X, Ciulli, A.
登録日2018-05-28
公開日2018-08-08
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.533 Å)
主引用文献Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
6GMQ
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BU of 6gmq by Molmil
pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol
分子名称: (4-pyrrol-1-ylphenyl)methanol, ACETATE ION, Elongin-B, ...
著者Van Molle, I, Lucas, X, Ciulli, A.
登録日2018-05-28
公開日2018-08-22
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
6GFY
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BU of 6gfy by Molmil
pVHL:EloB:EloC in complex with modified VH032 containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 14a)
分子名称: (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
7KQ1
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BU of 7kq1 by Molmil
PCNA bound to truncated peptide mimetic
分子名称: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
著者Vandborg, B.A, Bruning, J.B.
登録日2020-11-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021

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