3L36
 
 | | PIE12 D-peptide against HIV entry | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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2F9R
 | | Crystal structure of the inactive state of the Smase I, a sphingomyelinase D from Loxosceles laeta venom | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Sphingomyelinase D 1 | | Authors: | Murakami, M.T, Gabdoulkhakov, A, Fernandes-Pedrosa, M.F, Betzel, C, Tambourgi, D.V, Arni, R.K. | | Deposit date: | 2005-12-06 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for metal ion coordination and the catalytic mechanism of sphingomyelinases D.
J.Biol.Chem., 280, 2005
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1TOQ
 | | CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS HIRSUTA IN COMPLEX WITH METHYL-a-D-GALACTOSE | | Descriptor: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA CHAIN, methyl alpha-D-galactopyranoside | | Authors: | Rao, K.N, Suresh, C.G, Katre, U.V, Gaikwad, S.M, Khan, M.I. | | Deposit date: | 2004-06-15 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two orthorhombic crystal structures of a galactose-specific lectin from Artocarpus hirsuta in complex with methyl-alpha-D-galactose.
Acta Crystallogr.,Sect.D, 60, 2004
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482D
 | | RELEASE OF THE CYANO MOIETY IN THE CRYSTAL STRUCTURE OF N-CYANOMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN COMPLEXED WITH D(CGATCG) | | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*G)-3', N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN | | Authors: | Saminadin, P, Dautant, A, Mondon, M, Langlois D'Estaintot, B, Courseille, C, Precigoux, G. | | Deposit date: | 1999-07-27 | | Release date: | 1999-09-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Release of the cyano moiety in the crystal structure of N-cyanomethyl-N-(2-methoxyethyl)-daunomycin complexed with d(CGATCG).
Eur.J.Biochem., 267, 2000
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2QN7
 | | Glycogen Phosphorylase b in complex with N-4-hydroxybenzoyl-N'-4-beta-D-glucopyranosyl urea | | Descriptor: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | | Authors: | Chrysina, E.D, Tiraidis, K, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | | Deposit date: | 2007-07-18 | | Release date: | 2008-07-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.83 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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2QN3
 | | Glycogen Phosphorylase in complex with N-4-chlorobenzoyl-N-beta-D-glucopyranosyl urea | | Descriptor: | Glycogen phosphorylase, muscle form, N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine | | Authors: | Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | | Deposit date: | 2007-07-17 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 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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2XWJ
 | | Crystal Structure of Complement C3b in Complex with Factor B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 ALPHA CHAIN, COMPLEMENT C3 BETA CHAIN, ... | | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | | Deposit date: | 2010-11-04 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
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3CUV
 | | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides | | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-04-17 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
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3L35
 | | PIE12 D-peptide against HIV entry | | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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3L8G
 | | Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with D-glycero-D-manno-heptose 1 ,7-bisphosphate | | Descriptor: | 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose, D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, ... | | Authors: | Nguyen, H, Peisach, E, Allen, K.N. | | Deposit date: | 2009-12-31 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
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3CUW
 | | Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides | | Descriptor: | Glycogen phosphorylase, muscle form, N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine | | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-04-17 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
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2QN9
 | | Glycogen Phosphorylase in complex with N-4-aminobenzoyl-N'-beta-D-glucopyranosyl urea | | Descriptor: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | | Authors: | Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | | Deposit date: | 2007-07-18 | | Release date: | 2008-07-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 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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4OC6
 | | Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... | | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | | Deposit date: | 2014-01-08 | | Release date: | 2014-08-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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2QN8
 | | Glycogen Phosphorylase b in complex with N-4-nitrobenzoyl-N'-beta-D-glucopyranosyl urea | | Descriptor: | Glycogen phosphorylase, muscle form, N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine, ... | | Authors: | Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | | Deposit date: | 2007-07-18 | | Release date: | 2008-07-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 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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197D
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4AUM
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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1WVG
 | | Structure of CDP-D-glucose 4,6-dehydratase from Salmonella typhi | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CDP-glucose 4,6-dehydratase, CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE | | Authors: | Koropatkin, N.M, Holden, H.M. | | Deposit date: | 2004-12-15 | | Release date: | 2005-01-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of CDP-D-glucose 4,6-dehydratase from Salmonella typhi complexed with CDP-D-xylose.
Acta Crystallogr.,Sect.D, 61, 2005
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4JK5
 | | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2013-03-09 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
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1EPZ
 | | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND. | | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE | | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M. | | Deposit date: | 2000-03-30 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
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2CZU
 | | lipocalin-type prostaglandin D synthase | | Descriptor: | Prostaglandin-H2 D-isomerase | | Authors: | Kumasaka, T, Irikura, D, Ago, H, Aritake, K, Yamamoto, M, Inoue, T, Miyano, M, Urade, Y, Hayaishi, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-17 | | Release date: | 2006-10-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the catalytic mechanism operating in open-closed conformers of lipocalin type prostaglandin D synthase.
J.Biol.Chem., 284, 2009
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1P4H
 | | Crystal structure of glycogen phosphorylase b in complex with C-(1-acetamido-alpha-D-glucopyranosyl) formamide | | Descriptor: | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, Glycogen phosphorylase, muscle form, ... | | Authors: | Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P. | | Deposit date: | 2003-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
Biocatal.Biotransfor., 21, 2003
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109D
 | | VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | | Deposit date: | 1995-02-15 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2.
Nucleic Acids Res., 23, 1995
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327D
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3G2H
 | | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase | | Descriptor: | 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | | Deposit date: | 2009-01-31 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
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3ZNN
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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