7OZW
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4S2H
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![BU of 4s2h by Molmil](/molmil-images/mine/4s2h) | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2019-12-25 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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7P3C
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![BU of 7p3c by Molmil](/molmil-images/mine/7p3c) | EED in complex with compound 4 | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3J
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![BU of 7p3j by Molmil](/molmil-images/mine/7p3j) | EED in complex with compound 4 | Descriptor: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3G
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![BU of 7p3g by Molmil](/molmil-images/mine/7p3g) | EED in complex with compound 4 | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3B
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![BU of 7p3b by Molmil](/molmil-images/mine/7p3b) | Human RNA ligase RTCB in complex with GMP and Co(II) | Descriptor: | ACETATE ION, COBALT (II) ION, FORMIC ACID, ... | Authors: | Kroupova, A, Ackle, F, Jinek, M. | Deposit date: | 2021-07-07 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular architecture of the human tRNA ligase complex. Elife, 10, 2021
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6X68
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![BU of 6x68 by Molmil](/molmil-images/mine/6x68) | Cryo-EM structure of piggyBac transposase synaptic complex with hairpin DNA (SNHP) | Descriptor: | CALCIUM ION, Transposase, ZINC ION, ... | Authors: | Chen, Q, Hickman, A.B, Dyda, F. | Deposit date: | 2020-05-27 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural basis of seamless excision and specific targeting by piggyBac transposase Nat Commun, 11, 2020
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4TSS
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![BU of 4tss by Molmil](/molmil-images/mine/4tss) | TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1, ZINC ION | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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7P30
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![BU of 7p30 by Molmil](/molmil-images/mine/7p30) | 3.0 A resolution structure of a DNA-loaded MCM double hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (53-MER), ... | Authors: | Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A. | Deposit date: | 2021-07-06 | Release date: | 2022-02-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase. Nat.Struct.Mol.Biol., 29, 2022
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6XB7
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![BU of 6xb7 by Molmil](/molmil-images/mine/6xb7) | IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric Stabilization of a Ternary Complex | Descriptor: | 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide, RNA (41-MER) | Authors: | Tolbert, B.S, Davila, J, Sugarman, A.L, Chiu, L.Y. | Deposit date: | 2020-06-05 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex. Nat Commun, 11, 2020
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4U0U
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![BU of 4u0u by Molmil](/molmil-images/mine/4u0u) | Wild type eukaryotic fic domain containing protein with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | Authors: | Cole, A.R, Bunney, T.D, Katan, M. | Deposit date: | 2014-07-14 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions. Structure, 22, 2014
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7OS2
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![BU of 7os2 by Molmil](/molmil-images/mine/7os2) | Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78 | Descriptor: | Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase | Authors: | Bergfort, A, Hilal, T, Weber, G, Wahl, M.C. | Deposit date: | 2021-06-07 | Release date: | 2022-02-23 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling. Nucleic Acids Res., 50, 2022
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7OS1
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![BU of 7os1 by Molmil](/molmil-images/mine/7os1) | Cryo-EM structure of Brr2 in complex with Fbp21 | Descriptor: | U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4 | Authors: | Bergfort, A, Hilal, T, Weber, G, Wahl, M.C. | Deposit date: | 2021-06-07 | Release date: | 2022-02-23 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling. Nucleic Acids Res., 50, 2022
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4UAF
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4UBC
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![BU of 4ubc by Molmil](/molmil-images/mine/4ubc) | DNA polymerase beta substrate complex with a templating cytosine and incoming 8-oxodGTP, 0 s | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | Deposit date: | 2014-08-12 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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7OY6
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![BU of 7oy6 by Molmil](/molmil-images/mine/7oy6) | Crystal structure of human DYRK1A in complex with ARN25068 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | Deposit date: | 2021-06-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
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4TXC
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![BU of 4txc by Molmil](/molmil-images/mine/4txc) | Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol, Death-associated protein kinase 1 | Authors: | Sorrell, F.J, Krojer, T, Wilbek, T.S, Skovgaard, T, Berthelsen, J, Dixon-Clarke, S, Chalk, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Stromgaard, K, Knapp, S. | Deposit date: | 2014-07-03 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1. Chembiochem, 16, 2015
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7OY5
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![BU of 7oy5 by Molmil](/molmil-images/mine/7oy5) | Crystal structure of GSK3Beta in complex with ARN25068 | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | Deposit date: | 2021-06-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
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4TXI
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![BU of 4txi by Molmil](/molmil-images/mine/4txi) | Construct of MICAL-1 containing the monooxygenase and calponin homology domains | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Alqassim, S.S, Amzel, L.M, Bianchet, M.A. | Deposit date: | 2014-07-03 | Release date: | 2016-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Modulation of MICAL Monooxygenase Activity by its Calponin Homology Domain: Structural and Mechanistic Insights. Sci Rep, 6, 2016
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7OL9
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4TWI
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![BU of 4twi by Molmil](/molmil-images/mine/4twi) | The structure of Sir2Af1 bound to a succinylated histone peptide | Descriptor: | GLYCEROL, NAD-dependent protein deacylase 1, Succinylated H4 Peptide (aa8-20), ... | Authors: | Ringel, A.E, Roman, C, Wolberger, C. | Deposit date: | 2014-06-30 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2. Protein Sci., 23, 2014
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7PC6
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![BU of 7pc6 by Molmil](/molmil-images/mine/7pc6) | DNA-binding domain of a p53 homolog from the hydrothermal vent annelid Alvinella pompejana | Descriptor: | 1,2-ETHANEDIOL, DNA-binding domain, ZINC ION | Authors: | Balourdas, D.-I, Knapp, S, Soussi, T, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2021-08-03 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Evolutionary history of the p53 family DNA-binding domain: insights from an Alvinella pompejana homolog. Cell Death Dis, 13, 2022
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4U17
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![BU of 4u17 by Molmil](/molmil-images/mine/4u17) | Swapped dimer of the human Fyn-SH2 domain | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Tyrosine-protein kinase Fyn | Authors: | Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J. | Deposit date: | 2014-07-15 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Swapped dimer of the human Fyn-SH2 domain To Be Published
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4TZF
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![BU of 4tzf by Molmil](/molmil-images/mine/4tzf) | Structure of metallo-beta lactamase | Descriptor: | NDM-8 metallo-beta-lactamase, ZINC ION | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-07-10 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | structure of metallo-beta lactamase To Be Published
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4TW3
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![BU of 4tw3 by Molmil](/molmil-images/mine/4tw3) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-06-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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