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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
分子名称: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者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.
登録日2016-11-15
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
著者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.
登録日2016-09-28
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
著者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.
登録日2016-10-07
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献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
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
著者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.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
著者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.
登録日2016-10-17
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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.
分子名称: 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, ...
著者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.
登録日2018-07-08
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: (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, ...
著者Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
登録日2018-09-12
公開日2018-09-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
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
分子名称: (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, ...
著者Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
登録日2018-09-12
公開日2018-09-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
5NQA
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BU of 5nqa by Molmil
Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, ...
著者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.
登録日2017-04-19
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences.
Nat Commun, 8, 2017
7OO2
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BU of 7oo2 by Molmil
Crystal structure of an antibody targeting the capsular polysaccharide of serogroup X Neisseria meningitidis (MenX)
分子名称: THIOCYANATE ION, anti-MenX Fab heavy chain, anti-MenX Fab light chain
著者Pietri, G.P, de Ruyck, J, Lenac, T, Adamo, R, Bouckaert, J.
登録日2021-05-26
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Elucidating the Structural and Minimal Protective Epitope of the Serogroup X Meningococcal Capsular Polysaccharide.
Front Mol Biosci, 8, 2021
3LSD
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BU of 3lsd by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9
分子名称: Galectin-9
著者Ruiz, F.M, Romero, A.
登録日2010-02-12
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
3LSE
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BU of 3lse by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9 in complex with lactose
分子名称: Galectin-9, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Ruiz, F.M, Romero, A.
登録日2010-02-12
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
6QI4
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BU of 6qi4 by Molmil
NCS-1 bound to a ligand
分子名称: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
著者Sanchez-Barrena, M.J, Blanco-Gabella, P.
登録日2019-01-17
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7BE3
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BU of 7be3 by Molmil
Human Galectin-3 in complex with LacdiNAc
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Trovao, F, Carvalho, A.L.
登録日2020-12-22
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins.
Chemistry, 27, 2021
3K1X
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BU of 3k1x by Molmil
Acidic Fibroblast Growth Factor (FGF-1) complexed with dobesilate
分子名称: 2,5-dihydroxybenzenesulfonic acid, Heparin-binding growth factor 1
著者Romero, A, Fernandez, I.S, Gimenez-Gallego, G.
登録日2009-09-29
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
3JUT
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BU of 3jut by Molmil
Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid
分子名称: 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1
著者Fernandez, I.S, Gimenez-Gallego, G, Romero, A.
登録日2009-09-15
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
6MI1
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BU of 6mi1 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE VARIANT PLANT EXOHYDROLASE ARG158ALA-GLU161ALA IN COMPLEX WITH METHYL 6-THIO-BETA-GENTIOBIOSIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Streltsov, V.A, Luang, S, Hrmova, M.
登録日2018-09-18
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
6MD6
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BU of 6md6 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Streltsov, V.A, Luang, S, Hrmova, M.
登録日2018-09-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
6Y54
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BU of 6y54 by Molmil
Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab
分子名称: 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ...
著者Dello Iacono, L, Henriques, P, Adamo, R.
登録日2020-02-24
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EOY
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BU of 6eoy by Molmil
Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline
分子名称: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin
著者Leite, J.P, Gales, L.
登録日2017-10-10
公開日2021-10-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
2W67
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BU of 2w67 by Molmil
BtGH84 in complex with FMA34
分子名称: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ...
著者He, Y, Davies, G.J.
登録日2008-12-17
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
2W66
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BU of 2w66 by Molmil
BtGH84 in complex with HQ602
分子名称: CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ...
著者He, Y, Davies, G.J.
登録日2008-12-17
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
8RDA
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BU of 8rda by Molmil
Crystal structure of Haemophilus influenzae type b (Hib) DP2 oligosaccharide bound to Fab CA4
分子名称: 1,2-ETHANEDIOL, Fab CA4 H chain, Fab CA4 L chain, ...
著者Nonne, F, Dello Iacono, L.
登録日2023-12-07
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A Multidisciplinary Structural Approach to the Identification of the Haemophilus influenzae Type b Capsular Polysaccharide Protective Epitope.
Acs Cent.Sci., 10, 2024

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