4JFF
 
 | | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
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5VFY
 | | Structure of an accessory protein of the pCW3 relaxosome | | Descriptor: | TcpK | | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2017-04-10 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
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3GZO
 | | HUMAN SOD1 G93A Variant | | Descriptor: | COPPER (II) ION, GLYCEROL, MALONATE ION, ... | | Authors: | Galaleldeen, A, Taylor, A.B, Narayana, N, Whitson, L.J, Hart, P.J. | | Deposit date: | 2009-04-07 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
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3H0C
 | | Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | | Authors: | Nordhoff, S, Cerezo-Galvez, S, Deppe, H, Hill, O, Lopez-Canet, M, Rummey, C, Thiemann, M, Matassa, V.G, Edwards, P.J, Feurer, A. | | Deposit date: | 2009-04-09 | | Release date: | 2009-06-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Discovery of b-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV
To be Published
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3H2Q
 | | Human SOD1 H80R variant, P21 crystal form | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2009-04-14 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding
and Compromised Post-translational Modification by the Copper Chaperone CCS
To be Published
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3PEE
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3E7G
 | | Structure of human INOSOX with inhibitor AR-C95791 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3EEB
 | | Structure of the V. cholerae RTX cysteine protease domain | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION | | Authors: | Lupardus, P.J, Shen, A, Bogyo, M, Garcia, K.C. | | Deposit date: | 2008-09-04 | | Release date: | 2008-10-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small molecule-induced allosteric activation of the Vibrio cholerae RTX cysteine protease domain
Science, 322, 2008
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3ERT
 | | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 4-HYDROXYTAMOXIFEN | | Descriptor: | 4-HYDROXYTAMOXIFEN, PROTEIN (ESTROGEN RECEPTOR ALPHA) | | Authors: | Shiau, A.K, Barstad, D, Loria, P.M, Cheng, L, Kushner, P.J, Agard, D.A, Greene, G.L. | | Deposit date: | 1999-03-30 | | Release date: | 1999-04-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen.
Cell(Cambridge,Mass.), 95, 1998
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3PFC
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ferulic acid | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3PF9
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant | | Descriptor: | Cinnamoyl esterase, SODIUM ION | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3PF8
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 | | Descriptor: | Cinnamoyl esterase, SODIUM ION | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3PFB
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ethylferulate | | Descriptor: | AMMONIUM ION, CHLORIDE ION, Cinnamoyl esterase, ... | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3GZP
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3GZQ
 | | HUMAN SOD1 A4V Metal-free Variant | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn] | | Authors: | Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J. | | Deposit date: | 2009-04-07 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
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3PG8
 | | Truncated form of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Thermotoga maritima | | Descriptor: | AZIDE ION, GLYCEROL, Phospho-2-dehydro-3-deoxyheptonate aldolase | | Authors: | Cross, P.J, Dobson, R.C.J, Patchett, M.L, Parker, E.J. | | Deposit date: | 2010-10-31 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tyrosine latching of a regulatory gate affords allosteric control of aromatic amino acid biosynthesis
J.Biol.Chem., 286, 2011
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3H7P
 | | Crystal structure of K63-linked di-ubiquitin | | Descriptor: | CADMIUM ION, Ubiquitin | | Authors: | Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J. | | Deposit date: | 2009-04-28 | | Release date: | 2009-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Lys-63-linked tri- and di-ubiquitin reveal a highly extended chain architecture.
Proteins, 77, 2009
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3PG9
 | | Thermotoga maritima DAH7P synthase in complex with inhibitor | | Descriptor: | AZIDE ION, CHLORIDE ION, NITRATE ION, ... | | Authors: | Cross, P.J, Dobson, R.C.J, Patchett, M.L, Parker, E.J. | | Deposit date: | 2010-10-31 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Tyrosine latching of a regulatory gate affords allosteric control of aromatic amino acid biosynthesis
J.Biol.Chem., 286, 2011
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3H2P
 | | Human SOD1 D124V Variant | | Descriptor: | ACETYL GROUP, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2009-04-14 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding
and Compromised Post-translational Modification by the Copper Chaperone CCS
To be Published
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3H7U
 | | Crystal structure of the plant stress-response enzyme AKR4C9 | | Descriptor: | ACETATE ION, Aldo-keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | | Deposit date: | 2009-04-28 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
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3GTV
 | | Human-mouse SOD1 chimera | | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | | Deposit date: | 2009-03-28 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010
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3H7S
 | | Crystal structures of K63-linked di- and tri-ubiquitin reveal a highly extended chain architecture | | Descriptor: | Ubiquitin, ZINC ION | | Authors: | Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J. | | Deposit date: | 2009-04-28 | | Release date: | 2009-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of Lys-63-linked tri- and di-ubiquitin reveal a highly extended chain architecture.
Proteins, 77, 2009
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2YP9
 | | Haemagglutinin of 2005 Human H3N2 Virus in Complex with Avian Receptor Analogue 3SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Xiong, X, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Liu, J, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W. | | Deposit date: | 2012-10-29 | | Release date: | 2012-11-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1DL4
 | | THE SOLUTION STRUCTURE OF A BAY-REGION 1S-BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE | | Descriptor: | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, DNA (5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | | Authors: | Li, Z, Kim, H.-Y, Tamura, P.J, Harris, C.M, Harris, T.M, Stone, M.P. | | Deposit date: | 1999-12-08 | | Release date: | 2000-01-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Intercalation of the (1S,2R,3S,4R)-N6-[1-(1,2,3,4-tetrahydro-2,3, 4-trihydroxybenz[a]anthracenyl)]-2'-deoxyadenosyl adduct in an oligodeoxynucleotide containing the human N-ras codon 61 sequence.
Biochemistry, 38, 1999
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1DE4
 | | HEMOCHROMATOSIS PROTEIN HFE COMPLEXED WITH TRANSFERRIN RECEPTOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, CALCIUM ION, ... | | Authors: | Bennett, M.J, Lebron, J.A, Bjorkman, P.J. | | Deposit date: | 1999-11-12 | | Release date: | 2000-01-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the hereditary haemochromatosis protein HFE complexed with transferrin receptor.
Nature, 403, 2000
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