6TBJ
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![BU of 6tbj by Molmil](/molmil-images/mine/6tbj) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBH
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![BU of 6tbh by Molmil](/molmil-images/mine/6tbh) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6T75
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![BU of 6t75 by Molmil](/molmil-images/mine/6t75) | |
6TBG
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![BU of 6tbg by Molmil](/molmil-images/mine/6tbg) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6T5O
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![BU of 6t5o by Molmil](/molmil-images/mine/6t5o) | Bacteroides salyersiae GH164 beta-mannosidase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | Armstrong, Z, Davies, G. | Deposit date: | 2019-10-16 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164. J.Biol.Chem., 295, 2020
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6T7G
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![BU of 6t7g by Molmil](/molmil-images/mine/6t7g) | Bacteroides salyersiae GH164 beta-mannosidase in complex with mannoimidazole | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Armstrong, Z, Davies, G. | Deposit date: | 2019-10-21 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164. J.Biol.Chem., 295, 2020
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6TBK
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![BU of 6tbk by Molmil](/molmil-images/mine/6tbk) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBF
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![BU of 6tbf by Molmil](/molmil-images/mine/6tbf) | Structure of a beta galactosidase with inhibitor | Descriptor: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBI
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![BU of 6tbi by Molmil](/molmil-images/mine/6tbi) | Structure of a beta galactosidase with inhibitor | Descriptor: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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7OMI
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![BU of 7omi by Molmil](/molmil-images/mine/7omi) | Bs164 in complex with mannocyclophellitol epoxide | Descriptor: | (1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Armstrong, Z, Mcgregor, N, Davies, G. | Deposit date: | 2021-05-24 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
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6I31
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![BU of 6i31 by Molmil](/molmil-images/mine/6i31) | |
7NFJ
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![BU of 7nfj by Molmil](/molmil-images/mine/7nfj) | |
7NFL
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![BU of 7nfl by Molmil](/molmil-images/mine/7nfl) | |
7NFO
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![BU of 7nfo by Molmil](/molmil-images/mine/7nfo) | |
7NFF
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![BU of 7nff by Molmil](/molmil-images/mine/7nff) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7NFM
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![BU of 7nfm by Molmil](/molmil-images/mine/7nfm) | |
7NFI
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![BU of 7nfi by Molmil](/molmil-images/mine/7nfi) | |
7NFP
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![BU of 7nfp by Molmil](/molmil-images/mine/7nfp) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K | Descriptor: | CC-Type2-(LaId)4-I17K, GLYCEROL | Authors: | Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7NFK
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![BU of 7nfk by Molmil](/molmil-images/mine/7nfk) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S. | Descriptor: | CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7NFG
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![BU of 7nfg by Molmil](/molmil-images/mine/7nfg) | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7NFH
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![BU of 7nfh by Molmil](/molmil-images/mine/7nfh) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4 | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7NFN
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![BU of 7nfn by Molmil](/molmil-images/mine/7nfn) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N. | Descriptor: | CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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5G0T
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![BU of 5g0t by Molmil](/molmil-images/mine/5g0t) | InhA in complex with a DNA encoded library hit | Descriptor: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0U
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![BU of 5g0u by Molmil](/molmil-images/mine/5g0u) | InhA in complex with a DNA encoded library hit | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0S
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![BU of 5g0s by Molmil](/molmil-images/mine/5g0s) | InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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