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2B3X
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Structure of an orthorhombic crystal form of human cytosolic aconitase (IRP1)
Descriptor: 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, Iron-responsive element binding protein 1, ...
Authors:Dupuy, J, Fontecilla-Camps, J.C, Volbeda, A.
Deposit date:2005-09-22
Release date:2006-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of human iron regulatory protein 1 as cytosolic aconitase
Structure, 14, 2006
2GQ8
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BU of 2gq8 by Molmil
Structure of SYE1, an OYE homologue from S. ondeidensis, in complex with p-hydroxyacetophenone
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, P-HYDROXYACETOPHENONE, ...
Authors:Savvides, S.N, van den Hemel, D.
Deposit date:2006-04-20
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand-induced conformational changes in the capping subdomain of a bacterial old yellow enzyme homologue and conserved sequence fingerprints provide new insights into substrate binding.
J.Biol.Chem., 281, 2006
2AGZ
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Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. F222 form
Descriptor: (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, Aromatic amine dehydrogenase, ZINC ION
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AI9
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S.aureus Polypeptide Deformylase
Descriptor: NICKEL (II) ION, Peptide deformylase, SULFATE ION
Authors:Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2AQ3
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BU of 2aq3 by Molmil
Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3
Descriptor: Enterotoxin type C-3, T-cell receptor beta chain V
Authors:Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
Deposit date:2005-08-17
Release date:2006-03-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
2H0I
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Crystal Structure of DsbG V216M mutant
Descriptor: SULFATE ION, Thiol:disulfide interchange protein dsbG
Authors:Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A.
Deposit date:2006-05-15
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
2H1O
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BU of 2h1o by Molmil
Structure of FitAB bound to IR36 DNA fragment
Descriptor: IR36-strand 1, IR36-strand 2, Trafficking protein A, ...
Authors:Mattison, K, Wilbur, J.S, So, M, Brennan, R.G.
Deposit date:2006-05-16
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of FitAB from Neisseria gonorrhoeae bound to DNA reveals a tetramer of toxin-antitoxin heterodimers containing pin domains and ribbon-helix-helix motifs.
J.Biol.Chem., 281, 2006
2APB
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Crystal Structure of the S54N variant of murine T cell receptor Vbeta 8.2 domain
Descriptor: MALONIC ACID, T-cell receptor beta chain V
Authors:Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
Deposit date:2005-08-16
Release date:2006-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
2B7Y
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Fava Bean Lectin-Glucose Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Favin alpha chain, ...
Authors:Reeke Jr, G.N, Becker, J.W.
Deposit date:2005-10-05
Release date:2005-10-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-dimensional structure of favin: saccharide binding-cyclic permutation in leguminous lectins
Science, 234, 1986
2H7X
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Pikromycin Thioesterase adduct with reduced triketide affinity label
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ...
Authors:Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A.
Deposit date:2006-06-05
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels
NAT.CHEM.BIOL., 2, 2006
2H8N
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Structure of a glutamine-rich domain from histone deacetylase 4
Descriptor: Histone deacetylase 4
Authors:Guo, L, Han, A, Bates, D.L, Chen, L.
Deposit date:2006-06-07
Release date:2007-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a conserved N-terminal domain of histone deacetylase 4 reveals functional insights into glutamine-rich domains.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2GYU
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Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
Authors:Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S.
Deposit date:2006-05-10
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
2GOU
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Structure of wild type, oxidized SYE1, an OYE homologue from S. oneidensis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, ...
Authors:Savvides, S.N, van den Hemel, D.
Deposit date:2006-04-14
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand-induced conformational changes in the capping subdomain of a bacterial old yellow enzyme homologue and conserved sequence fingerprints provide new insights into substrate binding.
J.Biol.Chem., 281, 2006
2GQ1
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BU of 2gq1 by Molmil
Crystal Structure of Recombinant Type I Fructose-1,6-bisphosphatase from Escherichia coli Complexed with Sulfate Ions
Descriptor: Fructose-1,6-bisphosphatase, SULFATE ION
Authors:Hines, J.K, Fromm, H.J, Honzatko, R.B.
Deposit date:2006-04-19
Release date:2006-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Allosteric Activation Site in Escherichia coli Fructose-1,6-bisphosphatase.
J.Biol.Chem., 281, 2006
2GQA
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BU of 2gqa by Molmil
Structure of NADH-reduced SYE1, an OYE homologue from S. oneidensis
Descriptor: FLAVIN MONONUCLEOTIDE, SULFATE ION, oxidoreductase, ...
Authors:Savvides, S.N, van den Hemel, D.
Deposit date:2006-04-20
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand-induced conformational changes in the capping subdomain of a bacterial old yellow enzyme homologue and conserved sequence fingerprints provide new insights into substrate binding.
J.Biol.Chem., 281, 2006
2GS2
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BU of 2gs2 by Molmil
Crystal Structure of the active EGFR kinase domain
Descriptor: Epidermal growth factor receptor
Authors:Zhang, X, Gureasko, J, Shen, K, Cole, P.A, Kuriyan, J.
Deposit date:2006-04-25
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An allosteric mechanism for activation of the kinase domain of epidermal growth factor receptor.
Cell(Cambridge,Mass.), 125, 2006
2GSI
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BU of 2gsi by Molmil
Crystal Structure of a Murine Fab in Complex with an 11 Residue Peptide Derived from Staphylococcal Nuclease
Descriptor: Immunoglobulin (gamma) heavy chain (VH + CH1 fragment), Immunoglobulin (kappa) light chain, SODIUM ION, ...
Authors:Armstrong, A.A, Amzel, L.M.
Deposit date:2006-04-26
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of a Murine Fab in Complex with an 11 Residue Peptide Derived from Staphylococcal Nuclease
To be Published
2HBU
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BU of 2hbu by Molmil
Crystal structure of HIF prolyl hydroxylase EGLN-1 in complex with a biologically active inhibitor
Descriptor: Egl nine homolog 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Evdokimov, A.G, Walter, R.L, Mekel, M, Pokross, M.E, Kawamoto, R, Boyer, A.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of HIF prolyl hydroxylase in complex with a biologically active inhibitor
To be Published
2GVU
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BU of 2gvu by Molmil
Crystal structure of diisopropyl fluorophosphatase (DFPase), mutant D229N / N120D
Descriptor: CALCIUM ION, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2H6X
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BU of 2h6x by Molmil
Crystal Structure of Thioredoxin Wild Type in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Thioredoxin Wild Type in Hexagonal (p61) Space Group
To be Published
2D27
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BU of 2d27 by Molmil
Structure of the N-terminal domain of XpsE (crystal form I4122)
Descriptor: type II secretion ATPase XpsE
Authors:Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
Deposit date:2005-09-03
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
2H02
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Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
Descriptor: Protein tyrosine phosphatase, receptor type, B,, ...
Authors:Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R.
Deposit date:2006-05-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg.Med.Chem.Lett., 16, 2006
2H0H
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BU of 2h0h by Molmil
Crystal Structure of DsbG K113E mutant
Descriptor: SULFATE ION, Thiol:disulfide interchange protein dsbG
Authors:Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A.
Deposit date:2006-05-15
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
2H1F
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BU of 2h1f by Molmil
E. coli heptosyltransferase WaaC with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide heptosyltransferase-1
Authors:Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A.
Deposit date:2006-05-16
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Escherichia coli heptosyltransferase WaaC: binary complexes with ADP and ADP-2-deoxy-2-fluoro heptose.
J.Mol.Biol., 363, 2006
2H4K
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Crystal structure of PTP1B with a monocyclic thiophene inhibitor
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W, Wan, Z.-K.
Deposit date:2006-05-24
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006

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