7SFG
 
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SFE
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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1UD7
 | | SOLUTION STRUCTURE OF THE DESIGNED HYDROPHOBIC CORE MUTANT OF UBIQUITIN, 1D7 | | Descriptor: | PROTEIN (UBIQUITIN CORE MUTANT 1D7) | | Authors: | Johnson, E.C, Lazar, G.A, Desjarlais, J.R, Handel, T.M. | | Deposit date: | 1999-04-07 | | Release date: | 1999-05-06 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a designed hydrophobic core variant of ubiquitin.
Structure Fold.Des., 7, 1999
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3RIJ
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | GLYCEROL, SC_2cx5 | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-13 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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1S98
 | | E.coli IscA crystal structure to 2.3 A | | Descriptor: | Protein yfhF | | Authors: | Cupp-Vickery, J.R, Silberg, J.J, Ta, D.T, Vickery, L.E. | | Deposit date: | 2004-02-03 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of IscA, an iron-sulfur cluster assembly protein from Escherichia coli.
J.Mol.Biol., 338, 2004
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3QXY
 | | Human SETD6 in complex with RelA Lys310 | | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | | Deposit date: | 2011-03-02 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
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3QXW
 | | Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody | | Descriptor: | Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION | | Authors: | Fanning, S.W, Horn, J.R. | | Deposit date: | 2011-03-02 | | Release date: | 2011-07-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
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3QXV
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1S3Y
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | Deposit date: | 2004-01-14 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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3PHE
 | | HCV NS5B with a bound quinolone inhibitor | | Descriptor: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein | | Authors: | Somoza, J.R, To, N, Lehoux, I. | | Deposit date: | 2010-11-03 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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1R2C
 | | PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC) | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Baxter, R.H, Ponomarenko, N, Pahl, R, Srajer, V, Moffat, K, Norris, J.R. | | Deposit date: | 2003-09-26 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Time-resolved crystallographic studies of light-induced structural changes in the photosynthetic reaction center.
Proc.Natl.Acad.Sci.USA, 101, 2004
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3Q2P
 | | Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix | | Descriptor: | Monellin chain B/Monellin chain A chimeric protein, SODIUM ION | | Authors: | Templeton, C.M, Hobbs, J.R, Munger, S.D, Conn, G.L. | | Deposit date: | 2010-12-20 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.341 Å) | | Cite: | Reduced Sweetness of a Monellin (MNEI) Mutant Results from Increased Protein Flexibility and Disruption of a Distant Poly-(L-Proline) II Helix.
Chem Senses, 36, 2011
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3Q1D
 | | The B-box domain of Trim54 | | Descriptor: | Tripartite motif-containing protein 54, ZINC ION | | Authors: | Walker, J.R, Yermekbayeva, L, Mackenzie, F, Dong, A, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | | Deposit date: | 2010-12-17 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The B-Box Domain of Trim54
To be Published
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7SIE
 | | Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis | | Descriptor: | Accumulation associated protein, CALCIUM ION, CHLORIDE ION | | Authors: | Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2021-10-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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7SJK
 | | Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus | | Descriptor: | CALCIUM ION, Pls Plasmin sensitive surface protein | | Authors: | Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2021-10-18 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.208 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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1U35
 | | Crystal structure of the nucleosome core particle containing the histone domain of macroH2A | | Descriptor: | H2A histone family, Hist1h4i protein, Histone H3.1, ... | | Authors: | Chakravarthy, S, Gundimella, S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K. | | Deposit date: | 2004-07-20 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural characterization of the histone variant macroH2A.
Mol.Cell.Biol., 25, 2005
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3QSK
 | | 5 Histidine Variant of the anti-RNase A VHH in Complex with RNAse A | | Descriptor: | Engineered 5 Histidine anti-RNase A Camelid VHH Antibody Domain Variant, Ribonuclease pancreatic | | Authors: | Murtaugh, M.L, Fanning, S.W, Sharma, T.M, Terry, A.M, Horn, J.R. | | Deposit date: | 2011-02-21 | | Release date: | 2011-08-10 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A combinatorial histidine scanning library approach to engineer highly pH-dependent protein switches.
Protein Sci., 20, 2011
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7SMH
 | | Structure of SASG A-domain (residues 163-419) from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G | | Authors: | Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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1U00
 | | HscA substrate binding domain complexed with the IscU recognition peptide ELPPVKIHC | | Descriptor: | Chaperone protein hscA, IscU recognition peptide | | Authors: | Cupp-Vickery, J.R, Peterson, J.C, Ta, D.T, Vickery, L.E. | | Deposit date: | 2004-07-12 | | Release date: | 2004-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Molecular Chaperone HscA Substrate Binding Domain Complexed with the IscU Recognition Peptide ELPPVKIHC.
J.Mol.Biol., 342, 2004
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1RYK
 | | Solution NMR Structure Protein yjbJ from Escherichia coli. Northeast Structural Genomics Consortium Target ET93; Ontario Centre for Structural Proteomics target EC0298_1_69; | | Descriptor: | Protein yjbJ | | Authors: | Pineda-Lucena, A, Liao, J, Wu, B, Yee, A, Cort, J.R, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-02-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An NMR approach to structural proteomics.
Proteins, 47, 2002
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3RCO
 | | Crystal structure of a conserved motif in human TDRD7 | | Descriptor: | CHLORIDE ION, Tudor domain-containing protein 7 | | Authors: | Dong, A, Xu, C, Walker, J.R, Lam, R, Guo, Y, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-03-31 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a conserved motif in human TDRD7
To be Published
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1S44
 | | The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Crustacyanin A1 subunit, GLYCEROL, ... | | Authors: | Habash, J, Helliwell, J.R, Raftery, J, Cianci, M, Rizkallah, P.J, Chayen, N.E, Nneji, G.A, Zagalsky, P.F. | | Deposit date: | 2004-01-15 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure and refinement of apocrustacyanin C2 to 1.3 A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1.
Acta Crystallogr.,Sect.D, 60, 2004
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1RYJ
 | | Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526. | | Descriptor: | unknown | | Authors: | Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-02-24 | | 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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1S3U
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | Deposit date: | 2004-01-14 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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3RVG
 | | Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor | | Descriptor: | 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R. | | Deposit date: | 2011-05-06 | | Release date: | 2012-03-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
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