3PM0
 
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1AXN
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1ELN
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1RTW
 | | X-ray Structure of PF1337, a TenA Homologue from Pyrococcus furiosus. Northeast Structural Genomics Research Consortium (Nesg) Target PFR34 | | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, transcriptional activator, ... | | Authors: | Benach, J, Edstrom, W.C, Lee, I, Rong, X, Acton, T.B, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-10 | | Release date: | 2004-01-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism.
Acta Crystallogr.,Sect.D, 61, 2005
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6YDP
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4G93
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5X60
 | | Crystal structure of LSD1-CoREST in complex with peptide 9 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2017-02-20 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
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5X8Q
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. | | Descriptor: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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5IQP
 | | 14-3-3 PROTEIN TAU ISOFORM | | Descriptor: | 14-3-3 protein theta, SULFATE ION | | Authors: | Xiao, B, Smerdon, S.J, Gamblin, S.J. | | Deposit date: | 2016-03-11 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structure of a 14-3-3 protein and implications for coordination of multiple signalling pathways
Nature, 376, 1995
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6ALB
 | | CREBBP bromodomain in complex with Cpd 30 (1-(3-(3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | | Descriptor: | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CREB-binding protein, ... | | Authors: | Murray, J.M. | | Deposit date: | 2017-08-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Design and Synthesis of A Biaryl Series As Inhibitors for the Bromodomains of CBP/P300
To be published
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5IN1
 | | Crystal Structure of the MRG701 chromodomain | | Descriptor: | 1,2-ETHANEDIOL, MRG701, SULFATE ION | | Authors: | Huang, Y, Liu, Y. | | Deposit date: | 2016-03-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants
Protein Cell, 7, 2016
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1JW2
 | | SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88 | | Descriptor: | HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha | | Authors: | Chang, X, Yee, A, Savchenko, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2001-09-02 | | Release date: | 2002-02-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An NMR approach to structural proteomics
Proc.Natl.Acad.Sci.USA, 99, 2002
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3VUY
 | | Crystal structure of A20 ZF7 in complex with linear tetraubiquitin | | Descriptor: | POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2012-07-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
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6Y0C
 | | Influenza C virus polymerase in complex with human ANP32A - Subclass 2 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*UP*UP*UP*U)-3'), ... | | Authors: | Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-07 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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5OWB
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5OWW
 | | Crystal structure of human BRD4(1) bromodomain in complex with UT22B | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-09-04 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
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5IPE
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ... | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
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6YDW
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7Q1R
 | | A de novo designed homo-dimeric antiparallel coiled coil apCC-Di | | Descriptor: | ETHANOL, SODIUM ION, apCC-Di | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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7Q1S
 | | A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var | | Descriptor: | 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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7Q1T
 | | A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB | | Descriptor: | N-PROPANOL, SULFATE ION, apCC-Di-A, ... | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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5XUQ
 | | Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3 | | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Kato, A, Itoh, T, Yamamoto, K. | | Deposit date: | 2017-06-24 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Potent Vitamin D Receptor Antagonist
To Be Published
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7Q1Q
 | | De novo designed homo-dimeric antiparallel helices Homomer-S | | Descriptor: | ACETATE ION, Homomer-S | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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5PBS
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 13) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PC9
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 30) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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