184D
 
 | | SELF-ASSOCIATION OF A DNA LOOP CREATES A QUADRUPLEX: CRYSTAL STRUCTURE OF D(GCATGCT) AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), MAGNESIUM ION | | Authors: | Leonard, G.A, Zhang, S, Peterson, M.R, Harrop, S.J, Helliwell, J.R, Cruse, W.B.T, Langlois D'Estaintot, B, Kennard, O, Brown, T, Hunter, W.N. | | Deposit date: | 1994-08-10 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Self-association of a DNA loop creates a quadruplex: crystal structure of d(GCATGCT) at 1.8 A resolution.
Structure, 3, 1995
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2QLM
 | | Glycogen phosphorylase in complex with FN67 | | Descriptor: | Glycogen phosphorylase, muscle form, N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine | | Authors: | Oikonomakos, N.G, Chryina, E.D, Tiraidis, C, Kosmopoulou, M.N, Zographos, S.E, Leonidas, D.D. | | Deposit date: | 2007-07-13 | | Release date: | 2008-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
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3CS4
 | | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol, Vitamin D3 receptor | | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, F, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
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143D
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1CQO
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2O4C
 | | Crystal Structure of D-Erythronate-4-phosphate Dehydrogenase Complexed with NAD | | Descriptor: | Erythronate-4-phosphate dehydrogenase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Ha, J.Y, Lee, J.H, Kim, K.H, Kim, D.J, Lee, H.H, Kim, H.K, Yoon, H.J, Suh, S.W. | | Deposit date: | 2006-12-04 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of d-Erythronate-4-phosphate Dehydrogenase Complexed with NAD
J.Mol.Biol., 366, 2007
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1BZV
 | | [D-ALAB26]-DES(B27-B30)-INSULIN-B26-AMIDE A SUPERPOTENT SINGLE-REPLACEMENT INSULIN ANALOGUE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | INSULIN | | Authors: | Kurapkat, G, Siedentopf, M, Gattner, H.G, Hagelstein, M, Brandenburg, D, Grotzinger, J, Wollmer, A. | | Deposit date: | 1998-11-04 | | Release date: | 1999-05-18 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | The solution structure of a superpotent B-chain-shortened single-replacement insulin analogue.
Protein Sci., 8, 1999
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2FMG
 | | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine | | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, PHENYLALANINE, ... | | Authors: | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | | Deposit date: | 2006-01-09 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design.
J.Med.Chem., 49, 2006
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2HW1
 | | Crystal structure of human ketohexokinase complexed to different sugar molecules | | Descriptor: | GLYCEROL, Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V. | | Deposit date: | 2006-07-31 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of alternatively spliced isoforms of human ketohexokinase.
Acta Crystallogr.,Sect.D, 65, 2009
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28DN
 | | CRYSTAL STRUCTURE ANALYSIS OF AN A(DNA) OCTAMER D(GTACGTAC) | | Descriptor: | DNA (5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3') | | Authors: | Courseille, C, Dautant, A, Hospital, M, Langlois D'Estaintot, B, Precigoux, G, Molko, D, Teoule, R. | | Deposit date: | 1990-05-03 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure Analysis of an A(DNA) Octamer d(GTACGTAC)
Acta Crystallogr.,Sect.A, 46, 1990
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201D
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2KR3
 | | Solution structure of SHA-D | | Descriptor: | Spectrin alpha chain, brain | | Authors: | Khristoforov, V.S, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Gushchina, L.V, Filimonov, V.V, Kutyshenko, V.P. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Chimeric SHA-D domain "SH3-Bergerac": 3D structure and dynamics studies
Russ.J.Bioorganic Chem., 36, 2010
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2GMS
 | | E coli GDP-4-keto-6-deoxy-D-mannose-3-dehydratase with bound hydrated PLP | | Descriptor: | MAGNESIUM ION, Putative pyridoxamine 5-phosphate-dependent dehydrase, Wbdk, ... | | Authors: | Cook, P.D, Thoden, J.B, Holden, H.M. | | Deposit date: | 2006-04-07 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of GDP-4-keto-6-deoxy-D-mannose-3-dehydratase: a unique coenzyme B6-dependent enzyme.
Protein Sci., 15, 2006
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2AF1
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2LS8
 | | Solution structure of human C-type lectin domain family 4 member D | | Descriptor: | C-type lectin domain family 4 member D | | Authors: | Harris, R, Gaudette, J, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-04-23 | | Release date: | 2012-05-09 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human C-type lectin domain family 4 member D
To be Published
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2HC4
 | | Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SRC-1 from Nuclear receptor coactivator 1, Vitamin D receptor | | Authors: | Ciesielski, F, Rochel, N, Moras, D. | | Deposit date: | 2006-06-15 | | Release date: | 2007-05-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103, 2007
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2HZI
 | | Abl kinase domain in complex with PD180970 | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-09 | | Release date: | 2007-01-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2LTJ
 | | Conformational analysis of StrH, the surface-attached exo- beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae | | Descriptor: | Beta-N-acetylhexosaminidase | | Authors: | Pluvinage, B, Chitayat, S, Ficko-Blean, E, Abbott, D, Kunjachen, J, Grondin, J, Spencer, H, Smith, S, Boraston, A. | | Deposit date: | 2012-05-28 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Conformational analysis of StrH, the surface-attached exo-beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae.
J.Mol.Biol., 425, 2013
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2K71
 | | Structure and dynamics of a DNA GNRA hairpin solved vy high-sensitivity NMR with two independent converging methods, simulated annealing (DYANA) and mesoscopic molecular modelling (BCE/AMBER) | | Descriptor: | 5'-D(*DGP*DCP*DGP*DAP*DAP*DAP*DGP*DC)-3' | | Authors: | Santini, G.P.H, Cognet, J.A.H, Xu, D, Singarapu, K.K, Herve du Penhoat, C.L.M. | | Deposit date: | 2008-07-29 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nucleic acid folding determined by mesoscale modeling and NMR spectroscopy: solution structure of d(GCGAAAGC).
J.Phys.Chem.B, 113, 2009
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7LSP
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3CTL
 | | Crystal structure of D-Allulose 6-Phosphate 3-Epimerase from Escherichia coli K12 complexed with D-glucitol 6-phosphate and magnesium | | Descriptor: | D-SORBITOL-6-PHOSPHATE, D-allulose-6-phosphate 3-epimerase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-04-14 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for substrate specificity in phosphate binding (beta/alpha)8-barrels: D-allulose 6-phosphate 3-epimerase from Escherichia coli K-12.
Biochemistry, 47, 2008
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4PFR
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3541, TARGET EFI-510203), APO OPEN PARTIALLY DISORDERED | | Descriptor: | D-MALATE, TRAP dicarboxylate transporter, DctP subunit | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-04-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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6PHK
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1NIU
 | | ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM L-CYCLOSERINE | | Descriptor: | Alanine Racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | | Deposit date: | 2002-12-26 | | Release date: | 2003-09-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A side reaction of alanine racemase: transamination of cycloserine.
Biochemistry, 42, 2003
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4UQC
 | | X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.30 A resolution | | Descriptor: | CARBOHYDRATE BINDING FAMILY 6, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ... | | Authors: | Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-06-22 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
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