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8A3H
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BU of 8a3h by Molmil
Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution
Descriptor: (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ...
Authors:Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J.
Deposit date:1999-01-20
Release date:2000-01-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
6O97
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BU of 6o97 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D.
Deposit date:2019-03-13
Release date:2019-04-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens.
J. Am. Chem. Soc., 141, 2019
4AQY
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BU of 4aqy by Molmil
Structure of ribosome-apramycin complexes
Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Matt, T, Ng, C.L, Lang, K, Sha, S.H, Akbergenov, R, Shcherbakov, D, Meyer, M, Duscha, S, Xie, J, Dubbaka, S.R, Perez-Fernandez, D, Vasella, A, Ramakrishnan, V, Schacht, J, Bottger, E.C.
Deposit date:2012-04-20
Release date:2012-07-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Dissociation of Antibacterial Activity and Aminoglycoside Ototoxicity in the 4-Monosubstituted 2-Deoxystreptamine Apramycin.
Proc.Natl.Acad.Sci.USA, 109, 2012
2CET
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BU of 2cet by Molmil
Beta-glucosidase from Thermotoga maritima in complex with phenethyl- substituted glucoimidazole
Descriptor: (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ...
Authors:Gloster, T.M, Roberts, S, Vasella, A, Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
2CES
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BU of 2ces by Molmil
Beta-glucosidase from Thermotoga maritima in complex with glucoimidazole
Descriptor: ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ...
Authors:Gloster, T.M, Roberts, S, Vasella, A, Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
4B3R
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BU of 4b3r by Molmil
Crystal structure of the 30S ribosome in complex with compound 30
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C.
Deposit date:2012-07-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
4B3S
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BU of 4b3s by Molmil
Crystal structure of the 30S ribosome in complex with compound 37
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C.
Deposit date:2012-07-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
4B3M
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BU of 4b3m by Molmil
Crystal structure of the 30S ribosome in complex with compound 1
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C.
Deposit date:2012-07-25
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
4B3T
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BU of 4b3t by Molmil
Crystal structure of the 30S ribosome in complex with compound 39
Descriptor: (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C.
Deposit date:2012-07-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
1INW
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BU of 1inw by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
1INY
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BU of 1iny by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
1INX
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BU of 1inx by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
1INV
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BU of 1inv by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
2AXR
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BU of 2axr by Molmil
Crystal structure of glucooligosaccharide oxidase from Acremonium strictum: a novel flavinylation of 6-S-cysteinyl, 8alpha-N1-histidyl FAD
Descriptor: (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Huang, C.-H, Lai, W.-L, Vasella, A, Tsai, Y.-C, Liaw, S.-H.
Deposit date:2005-09-05
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of Glucooligosaccharide Oxidase from Acremonium strictum: A NOVEL FLAVINYLATION OF 6-S-CYSTEINYL, 8{alpha}-N1-HISTIDYL FAD
J.Biol.Chem., 280, 2005
2CER
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BU of 2cer by Molmil
Beta-glycosidase from Sulfolobus solfataricus in complex with phenethyl-substituted glucoimidazole
Descriptor: (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A
Authors:Gloster, T.M, Roberts, S, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
2CEQ
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BU of 2ceq by Molmil
Beta-glycosidase from Sulfolobus solfataricus in complex with glucoimidazole
Descriptor: ACETATE ION, BETA-GALACTOSIDASE, GLUCOIMIDAZOLE
Authors:Gloster, T.M, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
1UWR
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BU of 1uwr by Molmil
Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-galactose
Descriptor: 2-deoxy-2-fluoro-alpha-D-galactopyranose, ACETATE ION, BETA-GALACTOSIDASE
Authors:Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2004-02-11
Release date:2004-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Studies of the Beta-Glycosidase from Sulfolobus Solfataricus in Complex with Covalently and Noncovalently Bound Inhibitors.
Biochemistry, 43, 2004
1UR8
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BU of 1ur8 by Molmil
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
Authors:Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2003-10-27
Release date:2004-04-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
1UR9
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BU of 1ur9 by Molmil
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
Authors:Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2003-10-27
Release date:2004-04-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
1UWS
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BU of 1uws by Molmil
Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-glucose
Descriptor: 2-deoxy-2-fluoro-alpha-D-glucopyranose, ACETATE ION, BETA-GALACTOSIDASE
Authors:Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2004-02-11
Release date:2004-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
2VQT
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BU of 2vqt by Molmil
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases
Descriptor: (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ...
Authors:Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J.
Deposit date:2008-03-18
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VO5
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BU of 2vo5 by Molmil
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases
Descriptor: (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ...
Authors:Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J.
Deposit date:2008-02-08
Release date:2008-04-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2J7G
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BU of 2j7g by Molmil
Beta-glucosidase from Thermotoga maritima in complex with methyl acetic acid-substituted glucoimidazole
Descriptor: ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-07
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
2J7F
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BU of 2j7f by Molmil
Beta-glucosidase from Thermotoga maritima in complex with carboxylate- substituted glucoimidazole
Descriptor: ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-07
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
2J79
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BU of 2j79 by Molmil
Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam
Descriptor: (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-06
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007

 

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