1K1R
 
 | | HETERODUPLEX OF CHIRALLY PURE R-METHYLPHOSPHONATE/DNA DUPLEX | | Descriptor: | 5'-D(*CP*(CMR)P*(RMP)P*(RMP)P*(RMP)P*(CMR)P*(RMP))-3', 5'-D(*TP*GP*TP*TP*TP*GP*GP*C)-3' | | Authors: | Thiviyanathan, V, Vyazovkina, K.V, Gozansky, E.K, Bichenkova, E, Abramova, T.V, Luxon, B.A, Lebedev, A.V, Gorenstein, D.G. | | Deposit date: | 2001-09-25 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of hybrid backbone methylphosphonate DNA heteroduplexes: effect of R and S stereochemistry.
Biochemistry, 41, 2002
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1K1H
 | | HETERODUPLEX OF CHIRALLY PURE METHYLPHOSPHONATE/DNA DUPLEX | | Descriptor: | 5'-D(*CP*(CMR)P*(RMP)P*(RMP)P*(SMP)P*(CMR)P*(RMP))-3', 5'-D(*TP*GP*TP*TP*TP*GP*GP*C)-3' | | Authors: | Thiviyanathan, V, Vyazovkina, K.V, Gozansky, E.K, Bichenchova, E, Abramova, T.V, Luxon, B.A, Lebedev, A.V, Gorenstein, D.G. | | Deposit date: | 2001-09-25 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of hybrid backbone methylphosphonate DNA heteroduplexes: effect of R and S stereochemistry.
Biochemistry, 41, 2002
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2HP5
 | | Crystal Structure of the OXA-10 W154G mutant at pH 7.0 | | Descriptor: | Beta-lactamase PSE-2, COBALT (II) ION, SULFATE ION | | Authors: | Kerff, F, Falzone, C, Herman, R, Sauvage, E, Charlier, P. | | Deposit date: | 2006-07-17 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Critical role of tryptophan 154 for the activity and stability of class D beta-lactamases.
Biochemistry, 48, 2009
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1W31
 | | YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC ACID COMPLEX | | Descriptor: | 5-HYDROXYLAEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, ZINC ION | | Authors: | Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Beaven, G.D.E, Gill, R, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R. | | Deposit date: | 2004-07-11 | | Release date: | 2005-08-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with the Inhibitor 5-Hydroxylaevulinic Acid
Acta Crystallogr.,Sect.D, 61, 2005
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2HTT
 | | Ruthenium Hexammine ion interactions with Z-DNA | | Descriptor: | DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DA)-3'), DNA (5'-D(*DTP*DGP*DCP*DGP*DCP*DG)-3'), DNA (5'-D(P*DTP*DG)-3'), ... | | Authors: | Bharanidharan, D, Thiyagarajan, S, Gautham, N. | | Deposit date: | 2006-07-26 | | Release date: | 2006-08-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Hexammineruthenium(III) ion interactions with Z-DNA
Acta Crystallogr.,Sect.F, 63, 2007
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1M0F
 | | Structural Studies of Bacteriophage alpha3 Assembly, Cryo-electron microscopy | | Descriptor: | Capsid Protein F, Major Spike Protein G, Scaffolding Protein B, ... | | Authors: | Bernal, R.A, Hafenstein, S, Olson, N.H, Bowman, V.D, Chipman, P.R, Baker, T.S, Fane, B.A, Rossmann, M.G. | | Deposit date: | 2002-06-12 | | Release date: | 2002-12-25 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Structural Studies of Bacteriophage alpha3 Assembly
J.Mol.Biol., 325, 2003
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2JJB
 | | Family 37 trehalase from Escherichia coli in complex with casuarine-6- O-alpha-glucopyranose | | Descriptor: | 1,2-ETHANEDIOL, CASUARINE, PERIPLASMIC TREHALASE, ... | | Authors: | Gloster, T.M, Roberts, S, Davies, G.J, Cardona, F, Parmeggiani, C, Bonaccini, C, Gratteri, P, Sim, L, Rose, D.R, Goti, A. | | Deposit date: | 2008-03-28 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Total Syntheses of Casuarine and its 6-O-Alpha-Glucoside: Complementary Inhibition Towards Glycoside Hydrolases of the Gh31 and Gh37 Families.
Chemistry, 15, 2009
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2JE9
 | | CRYSTAL STRUCTURE OF RECOMBINANT DIOCLEA GRANDIFLORA LECTIN COMPLEXED WITH 5-BROMO-4-CHLORO-3-INDOLYL-A-D-MANNOSE | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, LECTIN ALPHA CHAIN, ... | | Authors: | Nagano, C.S, Sanz, L, Cavada, B.S, Calvete, J.J. | | Deposit date: | 2007-01-16 | | Release date: | 2007-10-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights Into the Structural Basis of the Ph- Dependent Dimer-Tetramer Equilibrium Through Crystallographic Analysis of Recombinant Diocleinae Lectins.
Biochem.J., 409, 2008
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3U82
 | | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion | | Descriptor: | Envelope glycoprotein D, Poliovirus receptor-related protein 1 | | Authors: | Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2011-10-15 | | Release date: | 2012-03-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.164 Å) | | Cite: | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion.
Nat Commun, 2, 2011
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2LI2
 | | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | Deposit date: | 2011-08-18 | | Release date: | 2012-04-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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3GPM
 | | Structure of the trimeric form of the E113G PCNA mutant protein | | Descriptor: | Proliferating cell nuclear antigen | | Authors: | Freudenthal, B.D, Gakhar, L, Ramaswamy, S, Washington, M.T. | | Deposit date: | 2009-03-23 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions.
Acta Crystallogr.,Sect.D, 65, 2009
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1JO1
 | | N7-Guanine Adduct of 2,7-diaminomitosene with DNA | | Descriptor: | 5'-D(*GP*TP*GP*(DAJ)GP*TP*AP*TP*AP*CP*CP*AP*C)-3', DECARBAMOYL-2,7-DIAMINOMITOSENE | | Authors: | Subramaniam, G, Paz, M.M, Kumar, G.S, Das, A, Palom, Y, Clement, C.C, Patel, D.J, Tomasz, M. | | Deposit date: | 2001-07-26 | | Release date: | 2001-09-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a guanine-N7-linked complex of the mitomycin C metabolite 2,7-diaminomitosene and DNA. Basis of sequence selectivity.
Biochemistry, 40, 2001
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3BYD
 | | Crystal structure of beta-lactamase OXY-1-1 from Klebsiella oxytoca | | Descriptor: | ACETATE ION, Beta-lactamase OXY-1, SULFATE ION | | Authors: | Liang, Y.-H, Wu, S.W, Su, X.-D. | | Deposit date: | 2008-01-15 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural insights into the broadened substrate profile of the extended-spectrum beta-lactamase OXY-1-1 from Klebsiella oxytoca
Acta Crystallogr.,Sect.D, 68, 2012
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3C6B
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232D
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3C90
 | | The 1.25 A Resolution Structure of Phosphoribosyl-ATP Pyrophosphohydrolase from Mycobacterium tuberculosis, crystal form II | | Descriptor: | Phosphoribosyl-ATP pyrophosphatase | | Authors: | Javid-Majd, F, Yang, D, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2008-02-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
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2FES
 | | Orally active thrombin inhibitors | | Descriptor: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2005-12-16 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety.
Bioorg.Med.Chem.Lett., 16, 2006
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2Q1C
 | | 2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2-oxobutyrate | | Descriptor: | 2-KETOBUTYRIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, CALCIUM ION | | Authors: | Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | | Deposit date: | 2007-05-24 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
J.Mol.Biol., 379, 2008
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2G9Q
 | | The crystal structure of the glycogen phosphorylase b- 1AB complex | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL, Glycogen phosphorylase, muscle form, ... | | Authors: | Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E, Kristiansen, M, Agius, L. | | Deposit date: | 2006-03-07 | | Release date: | 2007-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
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214D
 | | THE SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING A SINGLE 2'-O-METHYL-BETA-D-ARAT | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*AP*(T41)P*AP*TP*GP*CP*G)-3') | | Authors: | Gotfredsen, C.H, Spielmann, H.P, Wengel, J, Jacobsen, J.P. | | Deposit date: | 1995-07-07 | | Release date: | 1995-10-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of a DNA duplex containing a single 2'-O-methyl-beta-D-araT: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Bioconjug.Chem., 7, 1996
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3U2X
 | | Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP and 1'-deoxyglucose | | Descriptor: | 1,2-ETHANEDIOL, 1,5-anhydro-D-glucitol, Glycogenin-1, ... | | Authors: | Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-10-04 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP and 1'-deoxyglucose
To be Published
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1N2S
 | | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | | Authors: | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, Mcmiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | | Deposit date: | 2002-10-24 | | Release date: | 2002-11-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variation on a Theme of SDR. dTDP-6-Deoxy-L- lyxo-4-Hexulose Reductase (RmlD) Shows a New Mg(2+)-Dependent Dimerization Mode
Structure, 10, 2002
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3OMJ
 | | Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding | | Descriptor: | (23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3', CALCIUM ION | | Authors: | Chenoweth, D.M. | | Deposit date: | 2010-08-27 | | Release date: | 2010-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural basis for cyclic py-im polyamide allosteric inhibition of nuclear receptor binding.
J.Am.Chem.Soc., 132, 2010
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1MJ8
 | | High Resolution Crystal Structure Of The Fab Fragment of The Esterolytic Antibody MS6-126 | | Descriptor: | GLYCEROL, IMMUNOGLOBULIN MS6-126, PHOSPHATE ION | | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | | Deposit date: | 2002-08-27 | | Release date: | 2003-09-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
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3RWP
 | | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | | Authors: | Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C. | | Deposit date: | 2011-05-09 | | Release date: | 2011-11-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
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