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4UZU
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BU of 4uzu by Molmil
Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution
Descriptor: ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ...
Authors:Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J.
Deposit date:2014-09-09
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution
Acta Crystallogr.,Sect.F, 71, 2015
2WBK
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BU of 2wbk by Molmil
Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis
Descriptor: 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ...
Authors:Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J.
Deposit date:2009-03-02
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis.
Cell(Cambridge,Mass.), 18, 2009
6HA9
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BU of 6ha9 by Molmil
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:2024-05-15
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
8PEJ
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BU of 8pej by Molmil
CjGH35 with a Galactosidase Activity-Based Probe
Descriptor: (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W.A, Davies, G.J.
Deposit date:2023-06-14
Release date:2023-10-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe.
Org.Biomol.Chem., 21, 2023
6RYV
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BU of 6ryv by Molmil
Copper oxidase from Colletotrichum graminicola
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Kelch domain-containing protein, ...
Authors:Offen, W.A, Henrissat, B, Davies, G.J.
Deposit date:2019-06-12
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
6RYX
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BU of 6ryx by Molmil
Copper oxidase from Colletotrichum graminicola
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Offen, W.A, Henrissat, B, Davies, G.J.
Deposit date:2019-06-12
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
6RYW
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BU of 6ryw by Molmil
Copper oxidase from Colletotrichum graminicola
Descriptor: COPPER (II) ION, Kelch domain-containing protein, TRIETHYLENE GLYCOL
Authors:Offen, W.A, Henrissat, B, Davies, G.J.
Deposit date:2019-06-12
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
5OSS
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BU of 5oss by Molmil
Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole
Descriptor: (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, Beta-glucosidase A, ...
Authors:Offen, W.A, Schroeder, S.P, Davies, G.J, Overkleeft, H.S.
Deposit date:2017-08-18
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.
J. Am. Chem. Soc., 140, 2018
2RBI
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BU of 2rbi by Molmil
STRUCTURE OF BINASE MUTANT HIS 101 ASN
Descriptor: RIBONUCLEASE
Authors:Offen, W.A, Okorokov, A.L.
Deposit date:1996-11-12
Release date:1997-03-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:RNA cleavage without hydrolysis. Splitting the catalytic activities of binase with Asn101 and Thr101 mutations.
Protein Eng., 10, 1997
6STX
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BU of 6stx by Molmil
Copper oxidase from Colletotrichum graminicola
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Kelch domain-containing protein, ...
Authors:Offen, W.A, Henrissat, B, Davies, G.J.
Deposit date:2019-09-12
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
5M7R
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BU of 5m7r by Molmil
Structure of human O-GlcNAc hydrolase
Descriptor: Protein O-GlcNAcase
Authors:Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7T
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BU of 5m7t by Molmil
Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor
Descriptor: (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, Protein O-GlcNAcase
Authors:Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7S
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BU of 5m7s by Molmil
Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG
Descriptor: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase
Authors:Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5FJJ
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BU of 5fjj by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
6I6M
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BU of 6i6m by Molmil
Papaver somniferum O-methyltransferase 1
Descriptor: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, 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:2024-01-24
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
6I6K
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BU of 6i6k by Molmil
Papaver somniferum O-methyltransferase 1
Descriptor: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, 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:2024-01-24
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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BU of 6i6l by Molmil
Papaver somniferum O-methyltransferase 1
Descriptor: O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydrocolumbamine
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:2024-01-24
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
6I5Q
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BU of 6i5q by Molmil
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:2024-01-24
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
6I6N
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BU of 6i6n by Molmil
Papaver somniferum O-methyltransferase 1
Descriptor: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, 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:2024-01-24
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
6I5Z
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BU of 6i5z by Molmil
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:2024-01-24
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
7OP7
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BU of 7op7 by Molmil
Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine
Descriptor: (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ...
Authors:McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J.
Deposit date:2021-05-29
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7OP6
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BU of 7op6 by Molmil
Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine
Descriptor: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ...
Authors:McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J.
Deposit date:2021-05-29
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
5ARC
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BU of 5arc by Molmil
Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase
Descriptor: 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, GLYCEROL, ...
Authors:Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G.
Deposit date:2015-09-24
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase
To be Published
5ARB
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BU of 5arb by Molmil
Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase
Descriptor: 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, CHLORIDE ION, ...
Authors:Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G.
Deposit date:2015-09-24
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase
To be Published

 

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