Author results

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
5JUG
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STRUCTURE OF AN INACTIVE (E45Q) VARIANT OF A BETA-1,4-MANNANASE, SSGH134, IN COMPLEX WITH MAN5
Descriptor:beta-1,4-mannanase, BETA-D-MANNOSE, ALPHA-D-MANNOSE, ...
Authors:Jin, Y., Petricevic, M., Goddard-Borger, E.D., Williams, S.J., Davies, G.J.
Deposit date:2016-05-10
Release date:2016-11-16
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
5M17
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STRUCTURE OF THE GH99 ENDO-ALPHA-MANNANASE FROM BACTEROIDES XYLANISOLVENS IN COMPLEX WITH MANNOSE-ALPHA-1,3-1,2-DIDEOXYMANNOSE
Descriptor:Glycosyl hydrolase family 71, 1,2-ETHANEDIOL, ACETATE ION, ...
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:2017-02-08
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
5M3W
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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:Glycosyl hydrolase family 71, ACETATE ION, 1,2-ETHANEDIOL, ...
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:2017-02-08
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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STRUCTURE OF THE GH99 ENDO-ALPHA-MANNANASE FROM BACTEROIDES XYLANISOLVENS IN COMPLEX WITH MANNOSE-ALPHA-1,3-NOEUROMYCIN AND 1,2-ALPHA-MANNOBIOSE
Descriptor:Glycosyl hydrolase family 71, ACETATE ION, ALPHA-D-MANNOSE, ...
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:2017-02-08
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
5NE5
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CRYSTAL STRUCTURE OF FAMILY 47 ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER K31 STRAIN IN COMPLEX WITH KIFUNENSINE
Descriptor:Mannosyl-oligosaccharide 1,2-alpha-mannosidase, KIFUNENSINE, CALCIUM ION, ...
Authors:Males, A., Davies, G.J.
Deposit date:2017-03-09
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach.
Chembiochem, 18, 2017
5M5D
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STRUCTURE OF THE GH99 ENDO-ALPHA-MANNANASE FROM BACTEROIDES XYLANISOLVENS IN COMPLEX WITH MANNOSE-ALPHA-1,3-D-GLUCAL
Descriptor:Glycosyl hydrolase family 71, 1,2-ETHANEDIOL, ACETATE ION, ...
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:2017-02-08
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
5JTS
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STRUCTURE OF A BETA-1,4-MANNANASE, SSGH134.
Descriptor:beta-1,4-mannanase, GLYCEROL, 1,2-ETHANEDIOL, ...
Authors:Jin, Y., Petricevic, M., Goddard-Borger, E.D., Williams, S.J., Davies, G.J.
Deposit date:2016-05-09
Release date:2016-11-16
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
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
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
5LYR
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STRUCTURE OF THE GH99 ENDO-ALPHA-MANNANASE FROM BACTEROIDES XYLANISOLVENS IN COMPLEX WITH MANNOSE-ALPHA-1,3-NOEUROMYCIN
Descriptor:Glycosyl hydrolase family 71, ACETATE ION, ALPHA-D-MANNOSE, ...
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:2017-02-08
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
5O0S
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CRYSTAL STRUCTURE OF TXGH116 (BETA-GLUCOSIDASE FROM THERMOANAEROBACTERIUM XYLOLYTICUM) IN COMPLEX WITH UNREACTED BETA CYCLOPHELLITOL CYCLOSULFATE PROBE ME711
Descriptor:Glucosylceramidase, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Wu, L., Offen, W.A., Breen, I.Z., Davies, G.J.
Deposit date:2017-05-16
Release date:2017-08-09
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5JU9
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STRUCTURE OF A BETA-1,4-MANNANASE, SSGH134, IN COMPLEX WITH MAN3.
Descriptor:beta-1,4-mannanase, BETA-D-MANNOSE, ALPHA-D-MANNOSE, ...
Authors:Jin, Y., Petricevic, M., Goddard-Borger, E.D., Williams, S.J., Davies, G.J.
Deposit date:2016-05-10
Release date:2016-11-16
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
5MC8
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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:Glycosyl hydrolase family 71, ACETATE ION, 1,2-ETHANEDIOL, ...
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:2017-02-08
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
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
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
5MEL
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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:Glycosyl hydrolase family 71, ACETATE ION, ALPHA-D-GLUCOSE, ...
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:2017-02-08
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
1ZUA
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CRYSTAL STRUCTURE OF AKR1B10 COMPLEXED WITH NADP+ AND TOLRESTAT
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
Authors:Gallego, O., Ruiz, F.X., Ardevol, A., Dominguez, M., Alvarez, R., de Lera, A.R., Rovira, C., Farres, J., Fita, I., Pares, X.
Deposit date:2005-05-30
Release date:2006-11-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.
Proc.Natl.Acad.Sci.USA, 104, 2007
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
5NPF
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CRYSTAL STRUCTURE OF TXGH116 (BETA-GLUCOSIDASE FROM THERMOANAEROBACTERIUM XYLOLYTICUM) IN COMPLEX WITH BETA CYCLOPHELLITOL CYCLOSULFATE PROBE ME594
Descriptor:Glucosylceramidase, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Wu, L., Offen, W.A., Breen, I.Z., Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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
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