2Y7X
 
 | | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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8QC5
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8QC6
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2VN5
 | | The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner | | Descriptor: | CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN | | Authors: | Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P. | | Deposit date: | 2008-01-31 | | Release date: | 2008-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
J.Biol.Chem., 283, 2008
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7NIT
 | | X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum | | Descriptor: | Beta-galactosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
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2W9X
 | | The active site of a carbohydrate esterase displays divergent catalytic and non-catalytic binding functions | | Descriptor: | GLYCEROL, PUTATIVE ACETYL XYLAN ESTERASE | | Authors: | Montanier, C, Money, V.A, Pires, V, Flint, J.E, Benedita, P.A, Goyal, A, Prates, J.A, Izumi, A, Stalbrand, H, Morland, C, Cartmell, A, Kolenova, K, Topakas, E, Dobson, E, Bolam, D.N, Davies, G.J, Fontes, C.M, Gilbert, H.J. | | Deposit date: | 2009-01-29 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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2WAO
 | | Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose | | Descriptor: | ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | | Deposit date: | 2009-02-10 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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7NBZ
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2WVV
 | | Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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2WVS
 | | Crystal structure of an alpha-L-fucosidase GH29 trapped covalent intermediate from Bacteroides thetaiotaomicron in complex with 2- fluoro-fucosyl fluoride using an E288Q mutant | | Descriptor: | 2-deoxy-2-fluoro-beta-L-fucopyranose, ALPHA-L-FUCOSIDASE, SULFATE ION | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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2WZS
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Mannoimidazole | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Zhu, Y, Suits, M.D.L, Thompson, A, Chavan, S, Dinev, Z, Dumon, C, Smith, N, Moremen, K.W, Xiang, Y, Siriwardena, A, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-12-02 | | Release date: | 2009-12-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WLV
 | | Structure of the N-terminal capsid domain of HIV-2 | | Descriptor: | GAG POLYPROTEIN | | Authors: | Price, A.J, Marzetta, F, Lammers, M, Ylinen, L.M.J, Schaller, T, Wilson, S.J, Towers, G.J, James, L.C. | | Deposit date: | 2009-06-26 | | Release date: | 2009-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Active Site Remodelling Switches HIV Specificity of Antiretroviral Trimcyp
Nat.Struct.Mol.Biol., 16, 2009
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2WW3
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside | | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ... | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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8S9P
 | | 1:1:1 agrin/LRP4/MuSK complex | | Descriptor: | Agrin, Low-density lipoprotein receptor-related protein 4, Muscle, ... | | Authors: | Xie, T, Xu, G.J, Liu, Y, Quade, B, Lin, W.C, Bai, X.C. | | Deposit date: | 2023-03-29 | | Release date: | 2023-05-17 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the assembly of the agrin/LRP4/MuSK signaling complex.
Proc.Natl.Acad.Sci.USA, 120, 2023
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2WW1
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Thiomannobioside | | Descriptor: | PUTATIVE ALPHA-1,2-MANNOSIDASE, alpha-D-mannopyranose-(1-2)-methyl 2-thio-alpha-D-mannopyranoside | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WYN
 | | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | | Descriptor: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | | Authors: | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases.
Chem.Commun.(Camb.), 46, 2010
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2WVX
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2X0H
 | | BtGH84 Michaelis complex | | Descriptor: | 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside, CALCIUM ION, GLYCEROL, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2009-12-08 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase
J.Am.Chem.Soc., 132, 2010
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2X3A
 | | AsaP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Bogdanovic, X, Palm, G.J, Singh, R.K, Hinrichs, W. | | Deposit date: | 2010-01-22 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Evidence of Intramolecular Propeptide Inhibition of the Aspzincin Metalloendopeptidase Asap1.
FEBS Lett., 590, 2016
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8R06
 | | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE | | Descriptor: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Offen, W.A, Davies, G.J, Breen, I.Z. | | Deposit date: | 2023-10-30 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
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2V38
 | | Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived noeuromycin | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, ENDOGLUCANASE 5A, GLYCEROL, ... | | Authors: | Gloster, T.M, Meloncelli, P.J, Money, V.A, Tarling, C.A, Davies, G.J, Withers, S.G, Stick, R.V. | | Deposit date: | 2007-06-13 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases
To be Published
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8S5B
 | | Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | | Descriptor: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Snow, A.J.D, Sharma, M, Davies, G.J. | | Deposit date: | 2024-02-23 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
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2WHJ
 | | Understanding how diverse mannanases recognise heterogeneous substrates | | Descriptor: | ACETATE ION, BETA-MANNANASE, GLYCEROL, ... | | Authors: | Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2009-05-05 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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7NTF
 | | Cryo-EM structure of unliganded O-GlcNAc transferase | | Descriptor: | Isoform 1 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Meek, R.W, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-03-09 | | Release date: | 2021-11-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (5.32 Å) | | Cite: | Cryo-EM structure provides insights into the dimer arrangement of the O-linked beta-N-acetylglucosamine transferase OGT.
Nat Commun, 12, 2021
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2WHK
 | | Structure of Bacillus subtilis mannanase man26 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Ducros, V.M.A, Davies, G.J. | | Deposit date: | 2009-05-05 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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