1NA0
 
 | | Design of Stable alpha-Helical Arrays from an Idealized TPR Motif | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, ACETATE ION, CHLORIDE ION, ... | | Authors: | Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L. | | Deposit date: | 2002-11-26 | | Release date: | 2003-06-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Structure, 11, 2003
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1E8B
 | | Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN | | Authors: | Pickford, A.R, Smith, S.P, Staunton, D, Boyd, J, Campbell, I.D. | | Deposit date: | 2000-09-18 | | Release date: | 2000-10-15 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding
Embo J., 20, 2001
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5A8X
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | Deposit date: | 2015-07-17 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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4PHB
 | | Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, Gadolinium derivative | | Descriptor: | GADOLINIUM ATOM, Uncharacterized protein | | Authors: | Close, D.W, D'Angelo, S, Bradbury, A.R.M. | | Deposit date: | 2014-05-06 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1781 Å) | | Cite: | A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
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5HVH
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
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5HY8
 | | Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Saraswathi, N.T, Pannu, N.S, Syakhovich, V.E, Saurabh, A, Bokut, S.B, Moras, D, Ruff, M. | | Deposit date: | 2016-02-01 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
To Be Published
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5A0F
 | | Crystal structure of Yersinia Afp18-modified RhoA | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | | Deposit date: | 2015-04-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos.
Nat Commun, 6, 2015
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3CTT
 | | Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CASUARINE, GLYCEROL, ... | | Authors: | Sim, L, Rose, D.R. | | Deposit date: | 2008-04-14 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 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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5A57
 | | The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT | | Descriptor: | (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
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5OLY
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4GIP
 | | Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 (PIV5) fusion protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1, Fusion glycoprotein F2 | | Authors: | Welch, B.D, Liu, Y, Kors, C.A, Leser, G.P, Jardetzky, T.S, Lamb, R.A. | | Deposit date: | 2012-08-08 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 fusion protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5O9Q
 | | Crystal structure of ScGas2 in complex with compound 6 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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1NX9
 | | Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin | | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase | | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2003-02-10 | | Release date: | 2004-03-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
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5OA2
 | | Crystal structure of ScGas2 in complex with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, SULFATE ION, ... | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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4G9N
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4PEU
 | | Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, native form with Calcium bound | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | Close, D.W, D'Angelo, S, Bradbury, A.R.M. | | Deposit date: | 2014-04-24 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8001 Å) | | Cite: | A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
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5O9R
 | | Crystal structure of ScGas2 in complex with compound 9 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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7AWT
 | | E. coli NADH quinone oxidoreductase hydrophilic arm | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T. | | Deposit date: | 2020-11-09 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Structure of the peripheral arm of a minimalistic respiratory complex I.
Structure, 30, 2022
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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3VGF
 | | Crystal structure of glycosyltrehalose trehalohydrolase (D252S) complexed with maltotriosyltrehalose | | Descriptor: | CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase, ... | | Authors: | Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R. | | Deposit date: | 2011-08-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
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4P85
 | | Crystal structure of Est-Y29, a novel penicillin-binding protein/beta-lactamase homolog from a metagenomic library | | Descriptor: | DIETHYL PHOSPHONATE, Est-Y29 | | Authors: | Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Kim, K.K, Kim, D.H. | | Deposit date: | 2014-03-30 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic analysis and biochemical applications of a novel penicillin-binding protein/ beta-lactamase homologue from a metagenomic library.
Acta Crystallogr.,Sect.D, 70, 2014
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1NYE
 | | Crystal structure of OsmC from E. coli | | Descriptor: | Osmotically inducible protein C | | Authors: | Shin, D.H, Choi, I.-G, Busso, D, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2003-02-12 | | Release date: | 2004-03-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of OsmC from Escherichia coli: a salt-shock-induced protein.
Acta Crystallogr.,Sect.D, 60, 2004
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8HW6
 | | Crystal structure of Heterodera glycines chitinase 2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Chen, W, Chen, Q, Wang, D, Yang, Q. | | Deposit date: | 2022-12-29 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.923 Å) | | Cite: | Crystal structure of Heterodera glycines chitinase 2
To Be Published
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3DBX
 | | Structure of chicken CD1-2 with bound fatty acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CD1-2 antigen, ... | | Authors: | Zajonc, D.M, Wilson, I.A. | | Deposit date: | 2008-06-02 | | Release date: | 2008-11-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of avian CD1 reveals a smaller, more primordial antigen-binding pocket compared to mammalian CD1
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4GRL
 | | Crystal structure of a autoimmune TCR-MHC complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II antigen, ... | | Authors: | Sethi, D.K, Wucherpfennig, K.W. | | Deposit date: | 2012-08-25 | | Release date: | 2013-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Crossreactivity of a human autoimmune TCR is dominated by a single TCR loop.
Nat Commun, 4, 2013
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