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6MD6
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BU of 6md6 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
Authors:Streltsov, V.A, Luang, S, Hrmova, M.
Deposit date:2018-09-04
Release date:2019-05-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
5NPD
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BU of 5npd by Molmil
Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021
Descriptor: (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5OCE
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BU of 5oce by Molmil
THE MOLECULAR MECHANISM OF SUBSTRATE RECOGNITION AND CATALYSIS OF THE MEMBRANE ACYLTRANSFERASE PatA -- Complex of PatA with palmitate, mannose, and palmitoyl-6-mannose
Descriptor: PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate, ...
Authors:Albesa-Jove, D, Tersa, M, Guerin, M.E.
Deposit date:2017-06-30
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The Molecular Mechanism of Substrate Recognition and Catalysis of the Membrane Acyltransferase PatA from Mycobacteria.
ACS Chem. Biol., 13, 2018
5NPF
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BU of 5npf by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ...
Authors:Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5N6T
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BU of 5n6t by Molmil
Thermotoga maritima family 1 glycoside hydrolase complexed with a cyclophellitol analogue transition state mimic
Descriptor: 1,2-ETHANEDIOL, Beta-glucosidase A, CHLORIDE ION, ...
Authors:Offen, W, Davies, G.
Deposit date:2017-02-16
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
J. Am. Chem. Soc., 139, 2017
5NPC
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BU of 5npc by Molmil
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:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5O0S
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BU of 5o0s by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711
Descriptor: (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-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, CALCIUM ION, ...
Authors:Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
Deposit date:2017-05-16
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5N0F
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BU of 5n0f by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManSIFG
Descriptor: Alpha-1,6-mannanase, [(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside
Authors:Jin, Y, Williams, S, Davies, G.
Deposit date:2017-02-02
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor.
Chem. Commun. (Camb.), 53, 2017
5N6S
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BU of 5n6s by Molmil
Thermotoga maritima family 1 Glycoside hydrolase complexed with Carba-Cyclophellitol transition state mimic
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-glucosidase A, ...
Authors:Offen, W, Davies, G.
Deposit date:2017-02-16
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
J. Am. Chem. Soc., 139, 2017
5NE5
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BU of 5ne5 by Molmil
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
5NPB
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BU of 5npb by Molmil
Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Cyclosulfate probe ME647
Descriptor: OXALATE ION, Oligosaccharide 4-alpha-D-glucosyltransferase, SULFATE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017

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