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6H0B
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BU of 6h0b by Molmil
Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ...
Authors:de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2018-07-08
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
6HMG
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BU of 6hmg by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine)
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
Deposit date:2018-09-12
Release date:2018-09-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
5FT4
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BU of 5ft4 by Molmil
Crystal structure of the cysteine desulfurase CsdA from Escherichia coli at 1.996 Angstroem resolution
Descriptor: CITRIC ACID, CYSTEINE DESULFURASE CSDA, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-12-21
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model
Acs Catalysis, 6, 2016
5FT6
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BU of 5ft6 by Molmil
Crystal structure of the cysteine desulfurase CsdA (S-sulfonic acid) from Escherichia coli at 2.050 Angstroem resolution
Descriptor: CYSTEINE DESULFURASE CSDA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
6HMH
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BU of 6hmh by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
Deposit date:2018-09-12
Release date:2018-09-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
5FT8
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BU of 5ft8 by Molmil
Crystal structure of the complex between the cysteine desulfurase CsdA and the sulfur-acceptor CsdE in the persulfurated state at 2.50 Angstroem resolution
Descriptor: Cysteine desulfurase CsdA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FT5
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BU of 5ft5 by Molmil
Crystal structure of the cysteine desulfurase CsdA (persulfurated) from Escherichia coli at 2.384 Angstroem resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FXC
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BU of 5fxc by Molmil
Crystal structure of glycopeptide 22 in complex with scFv-SM3
Descriptor: 1,2-ETHANEDIOL, GLYCOPEPTIDE, SCFV-SM3
Authors:Rojas-Ocariz, V, Companon, I, Aydillo, C, Castro-Lopez, J, Jimenez-Barbero, J, Hurtado-Guerrero, R, Avenoza, A, Zurbano, M.M, Corzana, F, Busto, J.H, Peregrina, J.M.
Deposit date:2016-02-29
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety
J.Org.Chem., 81, 2016
4D69
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BU of 4d69 by Molmil
SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN Tn
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LECTIN, ...
Authors:Madariaga, D, Martinez-Saez, N, Somovilla, V.J, Coelho, H, Valero-Gonzalez, J, Castro-Lopez, J, Asensio, J.L, Jimenez-Barbero, J, Busto, J.H, Avenoza, A, Marcelo, F, Hurtado-Guerrero, R, Corzana, F, Peregrina, J.M.
Deposit date:2014-11-10
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition.
Acs Chem.Biol., 10, 2015
5OWP
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BU of 5owp by Molmil
Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, ...
Authors:Bermejo, I.A, Albuquerque, I.S, Somovilla, V.J, Martinez-Saez, N, Castro-Lopez, J, Garcia-Martin, F, Hinou, H, Nishimura, S, Jimenez-Barbero, J, Asensio, J.L, Avenoza, A, Busto, J.H, Hurtado-Guerrero, R, Peregrina, J.M, Bernardes, G.J, Corzana, F.
Deposit date:2017-09-02
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer.
J. Am. Chem. Soc., 139, 2017
5N7B
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BU of 5n7b by Molmil
Understanding the singular conformational landscape of the Tn antigens: Sulfur-for- oxygen substitution in the glycosidic linkage provides new insights into molecular recognition by an antibody
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD(CG6)RP(NH2) peptide, ...
Authors:Companon, I, Martinez-Saez, N, Castro-Lopez, J, Jimenez-Barbero, J, Bernardes, G.J.L, Busto, J.H, Avenoza, A, Jimenez-Oses, G, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
Deposit date:2017-02-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J.Am.Chem.Soc., 141, 2019
5MC8
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BU of 5mc8 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-09
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M3W
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BU of 5m3w by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-17
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M03
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BU of 5m03 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M17
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BU of 5m17 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5LYR
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BU of 5lyr by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-09-28
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M5D
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BU of 5m5d by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-21
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
Descriptor: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-15
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
8S6E
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BU of 8s6e by Molmil
Monoclonal antibody MenW targeting serogroup W of Neisseria meningitidis
Descriptor: MenW.01 Heavy chain, MenW.01 Light chain, SODIUM ION
Authors:Pietri, G.P, Bertuzzi, S, Karnicar, K, Unione, L, Lisnic, B, Malic, S, Miklic, K, Novak, M, Calloni, I, Santini, L, Usenik, A, Rosaria Romano, M, Adamo, R, Jonjic, S, Turk, D, Jimenez-Barbero, J, Lenac Rovis, T.
Deposit date:2024-02-27
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design.
Carbohydr Polym, 341, 2024
5NQA
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BU of 5nqa by Molmil
Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, ...
Authors:de las Rivas, M, Lira-Navarrete, E, Daniel, E.J.P, Companon, I, Coelho, H, Diniz, A, Jimenez-Barbero, J, Peregrina, J.M, Clausen, H, Corzana, F, Marcelo, F, Jimenez-Oses, G, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2017-04-19
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences.
Nat Commun, 8, 2017
4D79
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BU of 4d79 by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, POTASSIUM ION, ...
Authors:Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2014-11-21
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
4D7A
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BU of 4d7a by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with AMP at 1.801 Angstroem resolution
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2014-11-21
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
6FWJ
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BU of 6fwj by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose
Descriptor: (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6FWG
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BU of 6fwg by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment
Descriptor: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6FWM
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BU of 6fwm by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme
Descriptor: (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020

224004

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