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5I3D
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SULFOLOBUS SOLFATARICUS BETA-GLYCOSIDASE - E387Y MUTANT
Descriptor:Beta-galactosidase, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION
Authors:Iglesias-Fernandez, J., Hancock, S.M., Lee, S.S., McAuley, K.E., Fordham-Skelton, A., Rovira, C., Davis, B.D.
Deposit date:2016-02-10
Release date:2017-02-01
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.
Nat. Chem. Biol., 13, 2017
4AYO
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYP
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH THIOMANNOBIOSIDE
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYQ
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH MANNOIMIDAZOLE
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYR
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH NOEUROMYCIN
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4CD4
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THE STRUCTURE OF GH26 BETA-MANNANASE CJMAN26C FROM CELLVIBRIO JAPONICUS IN COMPLEX WITH MANIFG
Descriptor:ENDO-1,4-BETA MANNANASE, PUTATIVE, MAN26C, ...
Authors:Williams, R.J., Iglesias-Fernandez, J., Stepper, J., Jackson, A., Thompson, A.J., Lowe, E.C., White, J.M., Gilbert, H.J., Rovira, C., Davies, G.J., Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD5
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THE STRUCTURE OF GH26 BETA-MANNANASE CJMAN26C FROM CELLVIBRIO JAPONICUS IN COMPLEX WITH MANMIM
Descriptor:ENDO-1,4-BETA MANNANASE, PUTATIVE, MAN26C, ...
Authors:Williams, R.J., Iglesias-Fernandez, J., Stepper, J., Jackson, A., Thompson, A.J., Lowe, E.C., White, J.M., Gilbert, H.J., Rovira, C., Davies, G.J., Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD6
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THE STRUCTURE OF GH113 BETA-MANNANASE AAMANA FROM ALICYCLOBACILLUS ACIDOCALDARIUS IN COMPLEX WITH MANIFG
Descriptor:ENDO-BETA-1,4-MANNANASE, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-D-MANNOSE
Authors:Williams, R.J., Iglesias-Fernandez, J., Stepper, J., Jackson, A., Thompson, A.J., Lowe, E.C., White, J.M., Gilbert, H.J., Rovira, C., Davies, G.J., Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD7
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THE STRUCTURE OF GH113 BETA-MANNANASE AAMANA FROM ALICYCLOBACILLUS ACIDOCALDARIUS IN COMPLEX WITH MANIFG AND BETA-1,4-MANNOBIOSE
Descriptor:ENDO-BETA-1,4-MANNANASE, ALPHA-D-MANNOSE, BETA-D-MANNOSE, ...
Authors:Williams, R.J., Iglesias-Fernandez, J., Stepper, J., Jackson, A., Thompson, A.J., Lowe, E.C., White, J.M., Gilbert, H.J., Rovira, C., Davies, G.J., Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD8
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THE STRUCTURE OF GH113 BETA-MANNANASE AAMANA FROM ALICYCLOBACILLUS ACIDOCALDARIUS IN COMPLEX WITH MANMIM
Descriptor:ENDO-BETA-1,4-MANNANASE, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, BETA-D-MANNOSE
Authors:Williams, R.J., Iglesias-Fernandez, J., Stepper, J., Jackson, A., Thompson, A.J., Lowe, E.C., White, J.M., Gilbert, H.J., Rovira, C., Davies, G.J., Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D4A
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STRUCTURE OF THE CATALYTIC DOMAIN (BCGH76) OF THE BACILLUS CIRCULANS GH76 ALPHA MANNANASE, AMAN6.
Descriptor:ALPHA-1,6-MANNANASE, 1,2-ETHANEDIOL
Authors:Thompson, A.J., Speciale, G., Iglesias-Fernandez, J., Hakki, Z., Belz, T., Cartmell, A., Spears, R.J., Stepper, J., Gilbert, H.J., Rovira, C., Williams, S.J., Davies, G.J.
Deposit date:2014-10-27
Release date:2015-03-25
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
4D4B
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THE CATALYTIC DOMAIN, BCGH76, OF BACILLUS CIRCULANS AMAN6 IN COMPLEX WITH MSMSME
Descriptor:ALPHA-1,6-MANNANASE, 1,6-DIDEOXY-DITHIO-METHYL-ALPHA-D-MANNOSE, ALPHA-D-MANNOSE, ...
Authors:Thompson, A.J., Speciale, G., Iglesias-Fernandez, J., Hakki, Z., Belz, T., Cartmell, A., Spears, R.J., Stepper, J., Gilbert, H.J., Rovira, C., Williams, S.J., Davies, G.J.
Deposit date:2014-10-27
Release date:2015-03-25
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
4D4C
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THE CATALYTIC DOMAIN, BCGH76, OF BACILLUS CIRCULANS AMAN6 IN COMPLEX WITH 1,6-MANDMJ
Descriptor:ALPHA-1,6-MANNANASE, 1-DEOXYMANNOJIRIMYCIN, ALPHA-D-MANNOSE, ...
Authors:Thompson, A.J., Speciale, G., Iglesias-Fernandez, J., Hakki, Z., Belz, T., Cartmell, A., Spears, R.J., Stepper, J., Gilbert, H.J., Rovira, C., Williams, S.J., Davies, G.J.
Deposit date:2014-10-27
Release date:2015-03-25
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
4D4D
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THE CATALYTIC DOMAIN, BCGH76, OF BACILLUS CIRCULANS AMAN6 IN COMPLEX WITH 1,6-MANIFG
Descriptor:ALPHA-1,6-MANNANASE, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ALPHA-D-MANNOSE, ...
Authors:Thompson, A.J., Speciale, G., Iglesias-Fernandez, J., Hakki, Z., Belz, T., Cartmell, A., Spears, R.J., Stepper, J., Gilbert, H.J., Rovira, C., Williams, S.J., Davies, G.J.
Deposit date:2014-10-27
Release date:2015-03-25
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
5AGD
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AN INACTIVE (D125N) VARIANT OF THE CATALYTIC DOMAIN, BCGH76, OF BACILLUS CIRCULANS AMAN6 IN COMPLEX WITH ALPHA-1,6-MANNOPENTAOSE
Descriptor:ALPHA-1,6-MANNANASE, BETA-D-MANNOSE, ALPHA-D-MANNOSE
Authors:Thompson, A.J., Speciale, G., Iglesias-Fernandez, J., Hakki, Z., Belz, T., Cartmell, A., Spears, R.J., Chandler, E., Temple, M.J., Stepper, J., Gilbert, H.J., Rovira, C., Williams, S.J., Davies, G.J.
Deposit date:2015-01-29
Release date:2015-03-25
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
4D0T
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GALNAC-T2 CRYSTAL SOAKED WITH UDP-GALNAC, EA2 PEPTIDE AND MANGANESE
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, PEPTIDE, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E., Iglesias-Fernandez, J., Zandberg, W.F., Companon, I., Kong, Y., Corzana, F., Pinto, B.M., Clausen, H., Peregrina, J.M., Vocadlo, D., Rovira, C., Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D0Z
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GALNAC-T2 CRYSTAL SOAKED WITH UDP-5SGALNAC, MEA2 AND MANGANESE (HIGHER RESOLUTION DATASET)
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, PEPTIDE, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E., Iglesias-Fernandez, J., Zandberg, W.F., Companon, I., Kong, Y., Corzana, F., Pinto, B.M., Clausen, H., Peregrina, J.M., Vocadlo, D., Rovira, C., Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D11
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GALNAC-T2 CRYSTAL SOAKED WITH UDP-5SGALNAC, MEA2 PEPTIDE AND MANGANESE (LOWER RESOLUTION DATASET)
Descriptor:POLYPEPTIDE GALNAC-TRANSFERASE T2, PEPTIDE, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E., Iglesias-Fernandez, J., Zandberg, W.F., Companon, I., Kong, Y., Corzana, F., Pinto, B.M., Clausen, H., Peregrina, J.M., Vocadlo, D., Rovira, C., Hurtado-Guerrero, R.
Deposit date:2014-05-01
Release date:2014-05-28
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4RE2
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DIFFERENT TRANSITION STATE CONFORMATIONS FOR THE HYDROLYSIS OF BETA-MANNOSIDES AND BETA-GLUCOSIDES IN THE RICE OS7BGLU26 FAMILY GH1 BETA-MANNOSIDASE/BETA-GLUCOSIDASE
Descriptor:Beta-mannosidase/beta-glucosidase, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Tankrathok, A., Iglesias-Fernandez, J., Williams, R.J., Hakki, Z., Robinson, R.C., Hrmova, M., Rovira, C., Williams, S.J., Ketudat Cairns, J.R.
Deposit date:2014-09-21
Release date:2015-09-16
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
4RE3
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DIFFERENT TRANSITION STATE CONFORMATIONS FOR THE HYDROLYSIS OF BETA-MANNOSIDES AND BETA-GLUCOSIDES IN THE RICE OS7BGLU26 FAMILY GH1 BETA-MANNOSIDASE/BETA-GLUCOSIDASE
Descriptor:Beta-mannosidase/beta-glucosidase, GLYCEROL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Tankrathok, A., Iglesias-Fernandez, J., Williams, R.J., Hakki, Z., Robinson, R.C., Hrmova, M., Rovira, C., Williams, S.J., Ketudat Cairns, J.R.
Deposit date:2014-09-21
Release date:2015-09-16
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
4RE4
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DIFFERENT TRANSITION STATE CONFORMATIONS FOR THE HYDROLYSIS OF BETA-MANNOSIDES AND BETA-GLUCOSIDES IN THE RICE OS7BGLU26 FAMILY GH1 BETA-MANNOSIDASE/BETA-GLUCOSIDASE
Descriptor:Beta-mannosidase/beta-glucosidase, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ...
Authors:Tankrathok, A., Iglesias-Fernandez, J., Williams, R.J., Hakki, Z., Robinson, R.C., Hrmova, M., Rovira, C., Williams, S.J., Ketudat Cairns, J.R.
Deposit date:2014-09-21
Release date:2015-09-16
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
5AJN
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CRYSTAL STRUCTURE OF THE INACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH THE GLYCOPEPTIDE MUC5AC-CYS13
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, MUCIN, SULFATE ION, ...
Authors:Lira-Navarrete, E., delasRivas, M., Companon, I., Pallares, M.C., Kong, Y., Iglesias-Fernandez, J., Bernardes, G.J.L., Peregrina, J.M., Rovira, C., Bernado, P., Bruscolini, P., Clausen, H., Lostao, A., Corzana, F., Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5AJO
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CRYSTAL STRUCTURE OF THE INACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH THE GLYCOPEPTIDE MUC5AC-3,13
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, MUCIN, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ...
Authors:Lira-Navarrete, E., delasRivas, M., Companon, I., Pallares, M.C., Kong, Y., Iglesias-Fernandez, J., Bernardes, G.J.L., Peregrina, J.M., Rovira, C., Bernado, P., Bruscolini, P., Clausen, H., Lostao, A., Corzana, F., Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5AJP
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CRYSTAL STRUCTURE OF THE ACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH UDP AND THE GLYCOPEPTIDE MUC5AC-13
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, MUCIN, URIDINE-5'-DIPHOSPHATE, ...
Authors:Lira-Navarrete, E., delasRivas, M., Companon, I., Pallares, M.C., Kong, Y., Iglesias-Fernandez, J., Bernardes, G.J.L., Peregrina, J.M., Rovira, C., Bernado, P., Bruscolini, P., Clausen, H., Lostao, A., Corzana, F., Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
6EQJ
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CRYSTAL STRUCTURE OF HUMAN GLYCOGENIN-1 (GYG1) TYR195PIPHE MUTANT, APO FORM
Descriptor:Glycogenin-1, 1,2-ETHANEDIOL
Authors:Bailey, H.J., Kopec, J., Bilyard, M.K., Bezerra, G.A., Seo Lee, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Davis, B.G., Yue, W.W.
Deposit date:2017-10-13
Release date:2017-12-20
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
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