Author results

6DHT
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BACTEROIDES OVATUS GH9 BACOVA_02649
Descriptor:Xyloglucan-specific endo-beta-1,4-glucanase BoGH9A, IMIDAZOLE, CALCIUM ION, ...
Authors:Koropatkin, N.M., Foley, M.H.
Deposit date:2018-05-21
Release date:2019-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A Cell-Surface GH9 Endo-Glucanase Coordinates with Surface Glycan-Binding Proteins to Mediate Xyloglucan Uptake in the Gut Symbiont Bacteroides ovatus.
J. Mol. Biol., 431, 2019
6I5Q
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PAPAVER SOMNIFERUM O-METHYLTRANSFERASE 1
Descriptor:O-methyltransferase 1
Authors:Cabry, M.P., Offen, W.A., Winzer, T., Li, Y., Graham, I.A., Davies, G.J., Saleh, P.
Deposit date:2018-11-14
Release date:2019-03-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I5Z
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PAPAVER SOMNIFERUM O-METHYLTRANSFERASE
Descriptor:O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE
Authors:Davies, G.J., Cabry, M.P., Offen, W.A.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I6K
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PAPAVER SOMNIFERUM O-METHYLTRANSFERASE 1
Descriptor:O-methyltransferase 1, (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Cabry, M.P., Offen, W.A., Winzer, T., Li, Y., Graham, I.A., Davies, G.J., Saleh, P.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I6L
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PAPAVER SOMNIFERUM O-METHYLTRANSFERASE 1
Descriptor:O-methyltransferase 1, Tetrahydrocolumbamine, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Cabry, M.P., Offen, W.A., Winzer, T., Li, Y., Graham, I.A., Davies, G.J., Saleh, P.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I6M
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PAPAVER SOMNIFERUM O-METHYLTRANSFERASE 1
Descriptor:O-methyltransferase 1, (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Cabry, M.P., Offen, W.A., Winzer, T., Li, Y., Graham, I.A., Davies, G.J., Saleh, P.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I6N
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PAPAVER SOMNIFERUM O-METHYLTRANSFERASE 1
Descriptor:O-methyltransferase 1, (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Cabry, M.P., Offen, W.A., Winzer, T., Li, Y., Graham, I.A., Davies, G.J., Saleh, P.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6Q6K
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BETA-GLUCOCEREBROSIDASE IN COMPLEX WITH CYCLOPHELLITOL ACTIVITY BASED PROBE WITH CY5 TAG (ME569)
Descriptor:Glucosylceramidase, N-ACETYL-D-GLUCOSAMINE, ACETATE ION, ...
Authors:Rowland, R.J., Davies, G.J.
Deposit date:2018-12-11
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
6Q6L
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BETA-GLUCOCEREBROSIDASE IN COMPLEX WITH ADAMANTYL-CYCLOPHELLITOL INHIBITOR (ME656)
Descriptor:Glucosylceramidase, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:Rowland, R.J., Davies, G.J.
Deposit date:2018-12-11
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
6Q6N
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BETA-GLUCOCEREBROSIDASE IN COMPLEX WITH BIPHENYL-CYCLOPHELLITOL INHIBITOR (ME655)
Descriptor:Glucosylceramidase, SULFATE ION, ACETATE ION, ...
Authors:Rowland, R.J., Davies, G.J.
Deposit date:2018-12-11
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
6HPF
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STRUCTURE OF INACTIVE E165Q MUTANT OF FUNGAL NON-CBM CARRYING GH26 ENDO-B-MANNANASE FROM YUNNANIA PENICILLATA IN COMPLEX WITH ALPHA-62-61-DI-GALACTOSYL-MANNOTRIOSE
Descriptor:endo-b-mannanase, BETA-D-MANNOSE, ALPHA-D-MANNOSE, ...
Authors:von Freiesleben, P., Moroz, O.V., Blagova, E., Wiemann, M., Spodsberg, N., Agger, J.W., Davies, G.J., Wilson, K.S., Stalbrand, H., Meyer, A.S., Krogh, K.B.R.M.
Deposit date:2018-09-20
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata.
Sci Rep, 9, 2019
6HZY
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CRYSTAL STRUCTURE OF A BACTERIAL FUCOSIDASE WITH INHIBITOR FUCPUG
Descriptor:Alpha-L-fucosidase, 1,2-ETHANEDIOL, [(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate, ...
Authors:Wu, L., Davies, G.J., Stubbs, K.A., Coyle, T., Debowski, A.W.
Deposit date:2018-10-24
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthetic and crystallographic insight into exploiting sp2-hybridization in the development of alpha-L-fucosidase inhibitors.
Chembiochem, 2019
6GXV
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AMYLASE IN COMPLEX WITH ACARBOSE
Descriptor:Alpha-amylase, CALCIUM ION, SODIUM ION, ...
Authors:Agirre, J., Moroz, O., Meier, S., Brask, J., Munch, A., Hoff, T., Andersen, C., Wilson, K.S., Davies, G.J.
Deposit date:2018-06-27
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
6GYA
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AMYLASE IN COMPLEX WITH BRANCHED LIGAND
Descriptor:Amylase, CALCIUM ION, SODIUM ION, ...
Authors:Agirre, J., Moroz, O., Meier, S., Brask, J., Munch, A., Hoff, T., Andersen, C., Wilson, K.S., Davies, G.J.
Deposit date:2018-06-28
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
6HKI
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CRYSTAL STRUCTURE OF SURFACE ENTROPY MUTANT OF HUMAN O-GLCNAC HYDROLASE
Descriptor:Protein O-GlcNAcase
Authors:Males, A., Davies, G.J.
Deposit date:2018-09-06
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural studies of a surface-entropy reduction mutant of O-GlcNAcase.
Acta Crystallogr D Struct Biol, 75, 2019
6G00
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CRYSTAL STRUCTURE OF A GH8 XYLANASE FROM TEREDINIBACTER TURNERAE
Descriptor:Glycoside hydrolase family 8 domain protein, 1,2-ETHANEDIOL, SODIUM ION
Authors:Fowler, C.A., Davies, G.J., Walton, P.H.
Deposit date:2018-03-15
Release date:2018-10-10
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6G09
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CRYSTAL STRUCTURE OF A GH8 XYLOBIOSE COMPLEX FROM TEREDINIBACTER TURNERAE
Descriptor:Glycoside hydrolase family 8 domain protein, 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose, 1,2-ETHANEDIOL
Authors:Fowler, C.A., Davies, G.J., Walton, P.H.
Deposit date:2018-03-16
Release date:2018-10-10
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6G0B
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CRYSTAL STRUCTURE OF A GH8 XYLOTRIOSE COMPLEX FROM TEREDINIBACTER TURNERAE
Descriptor:Glycoside hydrolase family 8 domain protein, BETA-D-XYLOPYRANOSE
Authors:Fowler, C.A., Davies, G.J., Walton, P.H.
Deposit date:2018-03-16
Release date:2018-10-10
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6G0N
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CRYSTAL STRUCTURE OF A GH8 CATALYTIC MUTANT XYLOHEXAOSE COMPLEX XYLANASE FROM TEREDINIBACTER TURNERAE
Descriptor:Glycoside hydrolase family 8 domain protein, BETA-D-XYLOPYRANOSE, GLYCEROL
Authors:Fowler, C.A., Davies, G.J., Walton, P.H.
Deposit date:2018-03-19
Release date:2018-10-10
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6HA9
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STRUCTURE OF AN ENDO-XYLOGLUCANASE FROM CELLVIBRIO JAPONICUS COMPLEXED WITH XXXG(2F)-BETA-DNP
Descriptor:Cellulase, putative, cel5D, ...
Authors:Offen, W.A., Davies, G.J.
Deposit date:2018-08-07
Release date:2018-10-03
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
6HAA
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STRUCTURE OF A COVALENT COMPLEX OF ENDO-XYLOGLUCANASE FROM CELLVIBRIO JAPONICUS AFTER REACTING WITH XXXG(2F)-BETA-DNP
Descriptor:Cellulase, putative, cel5D, ...
Authors:Offen, W., Davies, G.J.
Deposit date:2018-08-07
Release date:2018-10-03
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
6HMG
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STRUCTURE OF THE GH99 ENDO-ALPHA-MANNANASE FROM BACTEROIDES XYLANISOLVENS IN COMPLEX WITH ALPHA-GLC-1,3-(1,2-ANHYDRO-CARBA-GLUCOSAMINE)
Descriptor:Glycosyl hydrolase family 71, ACETATE ION, (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ...
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:2018-12-19
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., 2018
6HMH
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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:Glycosyl hydrolase family 71, ACETATE ION, (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ...
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:2018-12-19
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., 2018
6FHJ
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STRUCTURAL DYNAMICS AND CATALYTIC PROPERTIES OF A MULTI-MODULAR XANTHANASE, NATIVE.
Descriptor:protein,protein, CALCIUM ION, SODIUM ION, ...
Authors:Moroz, O.V., Jensen, P.F., McDonald, S.P., McGregor, N., Blagova, E., Comamala, G., Segura, D.R., Anderson, L., Vasu, S.M., Rao, V.P., Giger, L., Monrad, R.N., Svendsen, A., Nielsen, J.E., Henrissat, B., Davies, G.J., Brumer, H., Rand, K., Wilson, K.S.
Deposit date:2018-01-14
Release date:2018-08-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018
6FHN
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STRUCTURAL DYNAMICS AND CATALYTIC PROPERTIES OF A MULTI-MODULAR XANTHANASE (PT DERIVATIVE)
Descriptor:protein, PLATINUM (II) ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Moroz, O.V., Jensen, P.F., McDonald, S.P., McGregor, N., Blagova, E., Comamala, G., Segura, D.R., Anderson, L., Vasu, S.M., Rao, V.P., Giger, L., Monrad, R.N., Svendsen, A., Nielsen, J.E., Henrissat, B., Davies, G.J., Brumer, H., Rand, K., Wilson, K.S.
Deposit date:2018-01-15
Release date:2018-08-29
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018