7OZW
 
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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