1UR6
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![BU of 1ur6 by Molmil](/molmil-images/mine/1ur6) | NMR based structural model of the UbcH5B-CNOT4 complex | Descriptor: | POTENTIAL TRANSCRIPTIONAL REPRESSOR NOT4HP, UBIQUITIN-CONJUGATING ENZYME E2-17 KDA 2, ZINC ION | Authors: | Dominguez, C, Bonvin, A.M.J.J, Winkler, G.S, Van Schaik, F.M.A, Timmers, H.Th.M, Boelens, R. | Deposit date: | 2003-10-27 | Release date: | 2004-05-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR, THEORETICAL MODEL | Cite: | Structural Model of the Ubch5B/Cnot4 Complex Revealed by Combining NMR, Mutagenesis, and Docking Approaches. Structure, 12, 2004
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5ELS
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5ELR
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![BU of 5elr by Molmil](/molmil-images/mine/5elr) | |
5EL3
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![BU of 5el3 by Molmil](/molmil-images/mine/5el3) | Structure of the KH domain of T-STAR | Descriptor: | KH domain-containing, RNA-binding, signal transduction-associated protein 3, ... | Authors: | Dominguez, C, Feracci, M. | Deposit date: | 2015-11-04 | Release date: | 2016-01-13 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68. Nat Commun, 7, 2016
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5ELT
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![BU of 5elt by Molmil](/molmil-images/mine/5elt) | |
5EMO
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2HGM
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![BU of 2hgm by Molmil](/molmil-images/mine/2hgm) | NMR structure of the second qRRM domain of human hnRNP F | Descriptor: | Heterogeneous nuclear ribonucleoprotein F | Authors: | Dominguez, C, Allain, F.H.-T. | Deposit date: | 2006-06-27 | Release date: | 2006-07-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of the three quasi RNA recognition motifs (qRRMs) of human hnRNP F and interaction studies with Bcl-x G-tract RNA: a novel mode of RNA recognition. Nucleic Acids Res., 34, 2006
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2HGN
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![BU of 2hgn by Molmil](/molmil-images/mine/2hgn) | NMR structure of the third qRRM domain of human hnRNP F | Descriptor: | Heterogeneous nuclear ribonucleoprotein F | Authors: | Dominguez, C, Allain, F.H.-T. | Deposit date: | 2006-06-27 | Release date: | 2006-07-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of the three quasi RNA recognition motifs (qRRMs) of human hnRNP F and interaction studies with Bcl-x G-tract RNA: a novel mode of RNA recognition. Nucleic Acids Res., 34, 2006
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2HGL
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![BU of 2hgl by Molmil](/molmil-images/mine/2hgl) | NMR structure of the first qRRM domain of human hnRNP F | Descriptor: | Heterogeneous nuclear ribonucleoprotein F | Authors: | Dominguez, C, Allain, F.H.-T. | Deposit date: | 2006-06-27 | Release date: | 2006-07-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of the three quasi RNA recognition motifs (qRRMs) of human hnRNP F and interaction studies with Bcl-x G-tract RNA: a novel mode of RNA recognition. Nucleic Acids Res., 34, 2006
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1W4U
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![BU of 1w4u by Molmil](/molmil-images/mine/1w4u) | NMR solution structure of the ubiquitin conjugating enzyme UbcH5B | Descriptor: | UBIQUITIN-CONJUGATING ENZYME E2-17 KDA 2 | Authors: | Houben, K, Dominguez, C, Van Schaik, F.M.A, Timmers, H.T.M, Bonvin, A.M.J.J, Boelens, R. | Deposit date: | 2004-07-29 | Release date: | 2004-11-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Ubiquitin-Conjugating Enzyme Ubch5B J.Mol.Biol., 344, 2004
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4CBT
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![BU of 4cbt by Molmil](/molmil-images/mine/4cbt) | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | Descriptor: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | Deposit date: | 2013-10-16 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J. Med. Chem., 56, 2013
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8B69
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![BU of 8b69 by Molmil](/molmil-images/mine/8b69) | Heterotetramer of K-Ras4B(G12V) and Rgl2(RBD) | Descriptor: | Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tariq, M, Fairall, L, Romartinez-Alonso, B, Dominguez, C, Schwabe, J.W.R, Tanaka, K. | Deposit date: | 2022-09-26 | Release date: | 2023-08-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator. Life Sci Alliance, 7, 2024
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8AU4
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![BU of 8au4 by Molmil](/molmil-images/mine/8au4) | Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator | Descriptor: | Ral guanine nucleotide dissociation stimulator-like 2 | Authors: | Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K. | Deposit date: | 2022-08-25 | Release date: | 2023-08-23 | Last modified: | 2023-10-25 | Method: | SOLUTION NMR | Cite: | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator. Life Sci Alliance, 7, 2024
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4CBY
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![BU of 4cby by Molmil](/molmil-images/mine/4cby) | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | Descriptor: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | Deposit date: | 2013-10-17 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J. Med. Chem., 56, 2013
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8OM9
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![BU of 8om9 by Molmil](/molmil-images/mine/8om9) | MutSbeta bound to (CAG)2 DNA (open form) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | MutSbeta bound to (CAG)2 DNA (open form) To Be Published
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8OLX
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![BU of 8olx by Molmil](/molmil-images/mine/8olx) | MutSbeta bound to (CAG)2 DNA (canonical form) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-30 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | MutSbeta bound to (CAG)2 DNA (canonical form) To Be Published
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8OMA
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![BU of 8oma by Molmil](/molmil-images/mine/8oma) | MutSbeta bound to 61bp homoduplex DNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | MutSbeta bound to 61bp homoduplex DNA To Be Published
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6FYZ
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![BU of 6fyz by Molmil](/molmil-images/mine/6fyz) | Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor | Descriptor: | (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ... | Authors: | Luckhurst, C.A, Maillard, M.C, Dominguez, C. | Deposit date: | 2018-03-13 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor. Bioorg. Med. Chem. Lett., 29, 2019
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6SP4
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![BU of 6sp4 by Molmil](/molmil-images/mine/6sp4) | KEAP1 IN COMPLEX WITH COMPOUND 23 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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2MTV
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![BU of 2mtv by Molmil](/molmil-images/mine/2mtv) | Solution Structure of the YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA | Descriptor: | RNA_(5'-R(*UP*GP*(6MZ)P*CP*AP*C)-3'), YTH domain-containing protein 1 | Authors: | Theler, D, Dominguez, C, Blatter, M, Boudet, J, Allain, F.H.-T. | Deposit date: | 2014-09-01 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the YTH domain in complex with N6-methyladenosine RNA: a reader of methylated RNA. Nucleic Acids Res., 42, 2014
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8OM5
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![BU of 8om5 by Molmil](/molmil-images/mine/8om5) | DNA-free open form of MutSbeta | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | DNA-free open form of MutSbeta To Be Published
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8OMO
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![BU of 8omo by Molmil](/molmil-images/mine/8omo) | DNA-unbound MutSbeta-ATP complex (bent clamp form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | DNA-unbound MutSbeta-ATP complex (bent clamp form) To Be Published
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8OMQ
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![BU of 8omq by Molmil](/molmil-images/mine/8omq) | DNA-unbound MutSbeta-ATP complex (straight clamp form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | DNA-unbound MutSbeta-ATP complex (straight clamp form) To Be Published
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6SP1
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![BU of 6sp1 by Molmil](/molmil-images/mine/6sp1) | KEAP1 IN COMPLEX WITH COMPOUND 6 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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3P4U
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![BU of 3p4u by Molmil](/molmil-images/mine/3p4u) | Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor | Descriptor: | Ac-VEID-CHO inhibitor, Caspase-6 | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | Deposit date: | 2010-10-07 | Release date: | 2011-09-28 | Last modified: | 2015-12-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of active and inhibitor-bound human Casp6 To be Published
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