5M7U
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![BU of 5m7u by Molmil](/molmil-images/mine/5m7u) | Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, 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 (2.3 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5MI4
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![BU of 5mi4 by Molmil](/molmil-images/mine/5mi4) | BtGH84 mutant with covalent modification by MA3 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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4A99
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![BU of 4a99 by Molmil](/molmil-images/mine/4a99) | STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W. | Deposit date: | 2011-11-25 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx Acta Crystallogr.,Sect.D, 69, 2013
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6QJW
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![BU of 6qjw by Molmil](/molmil-images/mine/6qjw) | TetR(D) T103A mutant in complex with 7-chlortetracycline and magnesium | Descriptor: | 7-CHLOROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | Deposit date: | 2019-01-27 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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4A5M
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![BU of 4a5m by Molmil](/molmil-images/mine/4a5m) | Redox regulator HypR in its oxidized form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR YYBR | Authors: | Palm, G.J, Waack, P, Read, R.J, Hinrichs, W. | Deposit date: | 2011-10-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights Into the Redox-Switch Mechanism of the Marr/Duf24-Type Regulator Hypr Nucleic Acids Res., 40, 2012
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4AOA
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![BU of 4aoa by Molmil](/molmil-images/mine/4aoa) | Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL | Authors: | Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2012-03-25 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Biochemical Properties and Crystal Structure of a Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus. Appl.Environ.Microbiol., 79, 2013
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5NE5
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![BU of 5ne5 by Molmil](/molmil-images/mine/5ne5) | Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ... | Authors: | Males, A, Davies, G.J. | Deposit date: | 2017-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach. Chembiochem, 18, 2017
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5NPC
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![BU of 5npc by Molmil](/molmil-images/mine/5npc) | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with unreacted alpha Cyclophellitol Cyclosulfate probe ME647 | Descriptor: | (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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3ZPX
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![BU of 3zpx by Molmil](/molmil-images/mine/3zpx) | |
3ZPH
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![BU of 3zph by Molmil](/molmil-images/mine/3zph) | |
3ZWQ
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![BU of 3zwq by Molmil](/molmil-images/mine/3zwq) | |
4B2V
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![BU of 4b2v by Molmil](/molmil-images/mine/4b2v) | S64, a spider venom toxin peptide from Sicarius dolichocephalus | Descriptor: | S64 | Authors: | Loening, N.M, Wilson, Z.N, Zobel-Thropp, P.A, Binford, G.J. | Deposit date: | 2012-07-18 | Release date: | 2013-01-16 | Last modified: | 2013-02-06 | Method: | SOLUTION NMR | Cite: | Solution Structures of Two Homologous Venom Peptides from Sicarius Dolichocephalus Plos One, 8, 2013
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4B3A
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![BU of 4b3a by Molmil](/molmil-images/mine/4b3a) | Tetracycline repressor class D mutant H100A in complex with tetracycline | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TETRACYCLINE, ... | Authors: | Eltschkner, S, Schindler, S, Palm, G.J, Schneider, J, Hinrichs, W. | Deposit date: | 2012-07-23 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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5M17
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![BU of 5m17 by Molmil](/molmil-images/mine/5m17) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | 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: | 2024-01-17 | 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
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4BA0
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![BU of 4ba0 by Molmil](/molmil-images/mine/4ba0) | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with 5F-alpha-GlcF | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, ALPHA-GLUCOSIDASE, ... | Authors: | Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H. | Deposit date: | 2012-09-09 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31 J.Biol.Chem., 287, 2012
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4B9Y
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![BU of 4b9y by Molmil](/molmil-images/mine/4b9y) | Crystal Structure of Apo Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31 | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE, PUTATIVE, ... | Authors: | Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H. | Deposit date: | 2012-09-09 | Release date: | 2012-11-14 | Last modified: | 2013-01-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31 J.Biol.Chem., 287, 2012
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4AYR
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![BU of 4ayr by Molmil](/molmil-images/mine/4ayr) | Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM 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: | 2023-12-20 | 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
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2KQ4
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![BU of 2kq4 by Molmil](/molmil-images/mine/2kq4) | Atomic resolution protein structure determination by three-dimensional transferred echo double resonance solid-state nuclear magnetic resonance spectroscopy | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Nieuwkoop, A.J, Wylie, B.J, Franks, W, Shah, G.J, Rienstra, C.M. | Deposit date: | 2009-10-27 | Release date: | 2009-11-17 | Last modified: | 2024-05-22 | Method: | SOLID-STATE NMR | Cite: | Atomic resolution protein structure determination by three-dimensional transferred echo double resonance solid-state nuclear magnetic resonance spectroscopy J.Chem.Phys., 131, 2009
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4B1M
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![BU of 4b1m by Molmil](/molmil-images/mine/4b1m) | CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS | Descriptor: | LEVANASE, SODIUM ION, SULFATE ION, ... | Authors: | Cuskin, F, Flint, J.E, Morland, C, Basle, A, Henrissat, B, Countinho, P.M, Strazzulli, A, Solzehinkin, A, Davies, G.J, Gilbert, H.J, Gloster, T.M. | Deposit date: | 2012-07-11 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | How Nature Can Exploit Nonspecific Catalytic and Carbohydrate Binding Modules to Create Enzymatic Specificity Proc.Natl.Acad.Sci.USA, 109, 2012
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4B2U
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![BU of 4b2u by Molmil](/molmil-images/mine/4b2u) | S67, A spider venom toxin peptide from Sicarius dolichocephalus | Descriptor: | S67 | Authors: | Loening, N.M, Wilson, Z.N, Zobel-Thropp, P.A, Binford, G.J. | Deposit date: | 2012-07-18 | Release date: | 2013-01-16 | Last modified: | 2013-02-06 | Method: | SOLUTION NMR | Cite: | Solution Structures of Two Homologous Venom Peptides from Sicarius Dolichocephalus. Plos One, 8, 2013
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2GVE
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![BU of 2gve by Molmil](/molmil-images/mine/2gve) | Time-of-Flight Neutron Diffraction Structure of D-Xylose Isomerase | Descriptor: | COBALT (II) ION, Xylose isomerase | Authors: | Katz, A.K, Li, X, Carrell, H.L, Hanson, B.L, Langan, P, Coates, L, Schoenborn, B.P, Glusker, J.P, Bunick, G.J. | Deposit date: | 2006-05-02 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction. Proc.Natl.Acad.Sci.Usa, 103, 2006
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3ZSE
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![BU of 3zse by Molmil](/molmil-images/mine/3zse) | 3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca | Descriptor: | 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | Authors: | Lammerts van Bueren, A, Otani, S, Friis, E.P, S Wilson, K, Davies, G.J. | Deposit date: | 2011-06-27 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Three-Dimensional Structure of a Thermophilic Family Gh11 Xylanase from Thermobifida Fusca. Acta Crystallogr.,Sect.F, 68, 2012
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5NBP
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![BU of 5nbp by Molmil](/molmil-images/mine/5nbp) | Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 in complex with G4G4G3G Product | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | Authors: | Hemsworth, G.R, Tamura, K, Dejean, G, Rogers, T.E, Pudlo, N.A, Urs, K, Jain, N, Martens, E.C, Brumer, H, Davies, G.J. | Deposit date: | 2017-03-02 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Mechanism by which Prominent Human Gut Bacteroidetes Utilize Mixed-Linkage Beta-Glucans, Major Health-Promoting Cereal Polysaccharides. Cell Rep, 21, 2017
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5NBO
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![BU of 5nbo by Molmil](/molmil-images/mine/5nbo) | Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 | Descriptor: | 1,2-ETHANEDIOL, Glycosyl hydrolase family 16 | Authors: | Hemsworth, G.R, Tamura, K, Dejean, G, Rogers, T.E, Pudlo, N.A, Urs, K, Jain, N, Martens, E.C, Brumer, H, Davies, G.J. | Deposit date: | 2017-03-02 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Mechanism by which Prominent Human Gut Bacteroidetes Utilize Mixed-Linkage Beta-Glucans, Major Health-Promoting Cereal Polysaccharides. Cell Rep, 21, 2017
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3ZVH
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![BU of 3zvh by Molmil](/molmil-images/mine/3zvh) | Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J. | Deposit date: | 2011-07-25 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids. Nat.Chem., 4, 2012
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