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4C1S
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BU of 4c1s by Molmil
Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE
Authors:Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
Deposit date:2013-08-13
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
4CD4
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BU of 4cd4 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
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:2023-12-20
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
4BMH
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Crystal structure of SsHAT
Descriptor: ACETYLTRANSFERASE, CHLORIDE ION
Authors:He, Y, Turkenburg, J.P, Davies, G.J.
Deposit date:2013-05-08
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Three-Dimensional Structure of a Streptomyces Sviceus Gnat Acetyltransferase with Similarity to the C-Terminal Domain of the Human Gh84 O-Glcnacase
Acta Crystallogr.,Sect.D, 70, 2014
4C7D
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BU of 4c7d by Molmil
Structure and activity of the GH20 beta-N-acetylhexosaminidase from Streptomyces coelicolor A3(2)
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE
Authors:Nguyenthi, N, Offen, W.A, Davies, G.J, Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
4C7G
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Structure and activity of the GH20 beta-N-acetylhexosaminidase from Streptomyces coelicolor A3(2)
Descriptor: 1,2-ETHANEDIOL, 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, BETA-N-ACETYLHEXOSAMINIDASE
Authors:Nguyenthi, N, Offen, W.A, Davies, G.J, Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
4BMZ
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BU of 4bmz by Molmil
Structure of futalosine hydrolase mutant of Helicobacter pylori strain 26695
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, MTA/SAH NUCLEOSIDASE
Authors:Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J.
Deposit date:2013-05-12
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
4C1R
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BU of 4c1r by Molmil
Bacteroides thetaiotaomicron VPI-5482 mannosyl-6-phosphatase Bt3783
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, MANNOSYL-6-PHOSPHATASE
Authors:Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
Deposit date:2013-08-13
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
4AYO
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BU of 4ayo by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, ...
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:2023-12-20
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
4ACZ
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BU of 4acz by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
Descriptor: ENDO-ALPHA-MANNOSIDASE, GLYCEROL
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6Q6L
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BU of 6q6l by Molmil
Crystal structure of recombinant human beta-glucocerebrosidase in complex with adamantyl-cyclophellitol inhibitor (ME656)
Descriptor: (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2018-12-11
Release date:2019-03-27
Last modified:2024-01-24
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
4AD5
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BU of 4ad5 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD1
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BU of 4ad1 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens
Descriptor: GLYCOSYL HYDROLASE FAMILY 71
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6Q4Y
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Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with mannose
Descriptor: LmxM MPT-2, alpha-D-mannopyranose, beta-D-mannopyranose
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
4AD3
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BU of 4ad3 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6Q4X
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BU of 6q4x by Molmil
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana
Descriptor: SODIUM ION, Uncharacterized protein
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
4A05
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BU of 4a05 by Molmil
Structure of the catalytic core domain of the cellobiohydrolase, Cel6A, from Chaetomium thermophilum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE FAMILY 6, LITHIUM ION, ...
Authors:Thompson, A.J, Wilson, K.S, Davies, G.J.
Deposit date:2011-09-08
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Catalytic Core Module of the Chaetomium Thermophilum Family Gh6 Cellobiohydrolase Cel6A.
Acta Crystallogr.,Sect.D, 68, 2012
4C7F
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BU of 4c7f by Molmil
Structure and activity of the GH20 beta-N-acetylhexosaminidase from Streptomyces coelicolor A3(2)
Descriptor: 1,2-ETHANEDIOL, 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, BETA-N-ACETYLHEXOSAMINIDASE
Authors:Nguyen Thi, N, Offen, W.A, Davies, G.J, Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
6Q6N
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BU of 6q6n by Molmil
Crystal structure of recombinant human beta-glucocerebrosidase in complex with biphenyl-cyclophellitol inhibitor (ME655)
Descriptor: (1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2018-12-11
Release date:2019-03-27
Last modified:2024-01-24
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
6Q4W
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BU of 6q4w by Molmil
Structure of MPT-1, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana
Descriptor: LmxM MPT-1
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
6Q6K
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BU of 6q6k by Molmil
Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2018-12-11
Release date:2019-03-27
Last modified:2024-10-23
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
6Q4Z
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Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose
Descriptor: LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
4D1J
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BU of 4d1j by Molmil
The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicas in complex with 1-Deoxygalactonojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, ACETATE ION, BETA-GALACTOSIDASE, ...
Authors:Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H.
Deposit date:2014-05-02
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus.
Mol.Microbiol., 94, 2014
4D4B
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BU of 4d4b by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe
Descriptor: 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside
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:2024-05-01
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
6QE8
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Crystal structure of Aspergillus niger GH11 endoxylanase XynA in complex with xylobiose epoxide activity based probe
Descriptor: (1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase A, ...
Authors:Wu, L, Rowland, R.J, Davies, G.J.
Deposit date:2019-01-07
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
4AIU
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BU of 4aiu by Molmil
A complex structure of BtGH84
Descriptor: (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012

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