6R2U
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![BU of 6r2u by Molmil](/molmil-images/mine/6r2u) | Zinc-alpha2-Glycoprotein with a Fluorescent Dansyl C 11 Fatty Acid | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, AZIDE ION, SULFATE ION, ... | Authors: | Lau, A.M, Gor, J, Perkins, S.J, Coker, A.R, McDermott, L.C. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of zinc-alpha 2-glycoprotein in complex with a fatty acid reveals multiple different modes of protein-lipid binding. Biochem.J., 476, 2019
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8U0P
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![BU of 8u0p by Molmil](/molmil-images/mine/8u0p) | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a noncomplementary DNA double-strand break | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | Deposit date: | 2023-08-29 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining. DNA Repair (Amst), 136, 2024
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8U0O
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![BU of 8u0o by Molmil](/molmil-images/mine/8u0o) | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a DNA double-strand break containing an unpaired 3' primer terminus | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*CP*GP*CP*GP*GP*CP*A)-3'), ... | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | Deposit date: | 2023-08-29 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining. DNA Repair (Amst), 136, 2024
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6SMP
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![BU of 6smp by Molmil](/molmil-images/mine/6smp) | AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | Descriptor: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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4NKK
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![BU of 4nkk by Molmil](/molmil-images/mine/4nkk) | |
4Z6H
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![BU of 4z6h by Molmil](/molmil-images/mine/4z6h) | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | Descriptor: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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4P0A
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![BU of 4p0a by Molmil](/molmil-images/mine/4p0a) | Crystal structure of HOIP PUB domain in complex with p97 PIM | Descriptor: | E3 ubiquitin-protein ligase RNF31, Transitional endoplasmic reticulum ATPase | Authors: | Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I. | Deposit date: | 2014-02-20 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3001 Å) | Cite: | Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling. Mol.Cell, 54, 2014
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4OUO
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![BU of 4ouo by Molmil](/molmil-images/mine/4ouo) | anti-Bla g 1 scFv | Descriptor: | CHLORIDE ION, SULFATE ION, anti Bla g 1 scFv | Authors: | Mueller, G.A, Ankney, J.A, Glesner, J, Khurana, T, Edwards, L.L, Pedersen, L.C, Perera, L, Slater, J.E, Pomes, A, London, R.E. | Deposit date: | 2014-02-18 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of an anti-Bla g 1 scFv: Epitope mapping and cross-reactivity. Mol.Immunol., 59, 2014
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4P0B
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![BU of 4p0b by Molmil](/molmil-images/mine/4p0b) | Crystal structure of HOIP PUB domain in complex with OTULIN PIM | Descriptor: | E3 ubiquitin-protein ligase RNF31, Ubiquitin thioesterase otulin | Authors: | Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I. | Deposit date: | 2014-02-20 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7005 Å) | Cite: | Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling. Mol.Cell, 54, 2014
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5E6Q
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![BU of 5e6q by Molmil](/molmil-images/mine/5e6q) | Importin alpha binding to XRCC1 NLS peptide | Descriptor: | CHLORIDE ION, DNA repair protein XRCC1 NLS peptide, GLYCEROL, ... | Authors: | Pedersen, L.C, Kirby, T.W, Gassman, N.R, Smith, C.E, Gabel, S.A, Sobhany, M, Wilson, S.H, London, R.E. | Deposit date: | 2015-10-10 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.305 Å) | Cite: | Nuclear Localization of the DNA Repair Scaffold XRCC1: Uncovering the Functional Role of a Bipartite NLS. Sci Rep, 5, 2015
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4NJ6
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![BU of 4nj6 by Molmil](/molmil-images/mine/4nj6) | PB1 Domain of AtARF7 | Descriptor: | Auxin response factor 7 | Authors: | Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C. | Deposit date: | 2013-11-08 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression. Proc.Natl.Acad.Sci.USA, 111, 2014
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4ZCE
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![BU of 4zce by Molmil](/molmil-images/mine/4zce) | Crystal Structure of the dust mite allergen Der p 23 from Dermatophagoides pteronyssinus | Descriptor: | 1,2-ETHANEDIOL, Dust mite allergen | Authors: | Pedersen, L.C, Mueller, G.A, Randall, T.A, Glesner, J, Perera, L, Edwards, L.L, Chapman, M.D, London, R.E, Pomes, A. | Deposit date: | 2015-04-15 | Release date: | 2015-11-25 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Serological, genomic and structural analyses of the major mite allergen Der p 23. Clin Exp Allergy, 46, 2016
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4YD2
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![BU of 4yd2 by Molmil](/molmil-images/mine/4yd2) | Nicked complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ... | Authors: | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2015-02-20 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.471 Å) | Cite: | Creative template-dependent synthesis by human polymerase mu. Proc.Natl.Acad.Sci.USA, 112, 2015
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4NJ7
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![BU of 4nj7 by Molmil](/molmil-images/mine/4nj7) | PB1 Domain of AtARF7 - SeMet Derivative | Descriptor: | Auxin response factor 7 | Authors: | Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C. | Deposit date: | 2013-11-08 | Release date: | 2014-03-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression. Proc.Natl.Acad.Sci.USA, 111, 2014
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4YCX
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![BU of 4ycx by Molmil](/molmil-images/mine/4ycx) | Binary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate | Descriptor: | DNA (5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2015-02-20 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Creative template-dependent synthesis by human polymerase mu. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZQL
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![BU of 4zql by Molmil](/molmil-images/mine/4zql) | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor | Descriptor: | 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ... | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor To Be Published
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5EWT
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![BU of 5ewt by Molmil](/molmil-images/mine/5ewt) | |
4NDZ
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![BU of 4ndz by Molmil](/molmil-images/mine/4ndz) | Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Maltose-binding periplasmic protein, Heparan sulfate 2-O-sulfotransferase 1 fusion, ... | Authors: | Liu, C, Sheng, J, Krahn, J.M, Perera, L, Xu, Y, Hsieh, P, Liu, J, Pedersen, L.C. | Deposit date: | 2013-10-28 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Deciphering the role of 2-O-sulfotransferase in regulating heparan sulfate biosynthesis To be Published
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5FTG
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![BU of 5ftg by Molmil](/molmil-images/mine/5ftg) | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | Authors: | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | Deposit date: | 2016-01-13 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1) Sci.Rep., 6, 2016
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5FR2
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![BU of 5fr2 by Molmil](/molmil-images/mine/5fr2) | Farnesylated RhoA-GDP in complex with RhoGDI-alpha, lysine acetylated at K178 | Descriptor: | FARNESYL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kuhlmann, N, Wroblowski, S, Knyphausen, P, de Boor, S, Brenig, J, Zienert, A.Y, Meyer-Teschendorf, K, Praefcke, G.J.K, Nolte, H, Krueger, M, Schacherl, M, Baumann, U, James, L.C, Chin, J.W, Lammers, M. | Deposit date: | 2015-12-15 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structural and Mechanistic Insights Into the Regulation of the Fundamental Rho-Regulator Rhogdi Alpha by Lysine Acetylation. J.Biol.Chem., 291, 2016
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5FGU
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![BU of 5fgu by Molmil](/molmil-images/mine/5fgu) | Structure of Sda1 nuclease apoprotein as an EGFP fixed-arm fusion | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Green fluorescent protein,Extracellular streptodornase D, ... | Authors: | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | Deposit date: | 2015-12-21 | Release date: | 2016-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes. Nucleic Acids Res., 44, 2016
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4Z6I
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![BU of 4z6i by Molmil](/molmil-images/mine/4z6i) | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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5CZT
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![BU of 5czt by Molmil](/molmil-images/mine/5czt) | |
6M4H
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![BU of 6m4h by Molmil](/molmil-images/mine/6m4h) | Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | Descriptor: | DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ... | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | Deposit date: | 2020-03-07 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2. Embo J., 40, 2021
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5D04
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![BU of 5d04 by Molmil](/molmil-images/mine/5d04) | |