2IQF
 
 | | Crystal structure of Helicobacter pylori catalase compound I | | Descriptor: | ACETATE ION, Catalase, OXYGEN ATOM, ... | | Authors: | Loewen, P.C, Carpena, X, Fita, I. | | Deposit date: | 2006-10-13 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
J.Am.Chem.Soc., 129, 2007
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4GPH
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4GPC
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4GOH
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4GPF
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8B0C
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB158 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase 50 kDa subunit, ... | | Authors: | Armstrong, Z, Davies, G. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0B
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB151 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0D
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, ALANINE, SULFATE ION, ... | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0E
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB158 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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6EQL
 | | Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant complexed with manganese and UDP | | Descriptor: | 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ... | | Authors: | Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W. | | Deposit date: | 2017-10-13 | | Release date: | 2017-12-20 | | Last modified: | 2018-11-14 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
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6EQJ
 | | Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant, apo form | | Descriptor: | 1,2-ETHANEDIOL, Glycogenin-1 | | Authors: | Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W. | | Deposit date: | 2017-10-13 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
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8RVK
 | | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | | Descriptor: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2024-02-01 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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6XN2
 | | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | | Deposit date: | 2020-07-02 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
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6XN1
 | | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | | Deposit date: | 2020-07-02 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
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6SU7
 | | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline | | Descriptor: | 3,4-Dichloroaniline, Glycosyltransferase | | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | | Deposit date: | 2019-09-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
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6SU6
 | | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | | Deposit date: | 2019-09-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
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6SXV
 | | GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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6SXU
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5JTS
 | | Structure of a beta-1,4-mannanase, SsGH134. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2016-05-09 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
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5JUG
 | | Structure of an inactive (E45Q) variant of a beta-1,4-mannanase, SsGH134, in complex with Man5 | | Descriptor: | CHLORIDE ION, GLYCEROL, alpha-D-mannopyranose, ... | | Authors: | Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2016-05-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
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5JU9
 | | Structure of a beta-1,4-mannanase, SsGH134, in complex with Man3. | | Descriptor: | CHLORIDE ION, beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | | Authors: | Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2016-05-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
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5KQ6
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5KQH
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5KQ3
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5KQ0
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