6R3V
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![BU of 6r3v by Molmil](/molmil-images/mine/6r3v) | Crystal Structure of RhoA-GDP-Pi in Complex with RhoGAP | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jin, Y. | Deposit date: | 2019-03-21 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A GAP-GTPase-GDP-PiIntermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers. Chemistry, 25, 2019
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6Z3O
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6Z3N
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5OHY
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![BU of 5ohy by Molmil](/molmil-images/mine/5ohy) | A GH31 family sulfoquinovosidase in complex with aza-sugar inhibitor IFGSQ | Descriptor: | 1,2-ETHANEDIOL, Alpha-glucosidase yihQ, PHOSPHATE ION, ... | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5OHS
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![BU of 5ohs by Molmil](/molmil-images/mine/5ohs) | A GH31 family sulfoquinovosidase mutant D455N in complex with pNPSQ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ... | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5N0F
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![BU of 5n0f by Molmil](/molmil-images/mine/5n0f) | 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
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5M77
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![BU of 5m77 by Molmil](/molmil-images/mine/5m77) | a GH76 family enzyme structure | Descriptor: | 1,2-ETHANEDIOL, 1-thio-alpha-D-mannopyranose-(1-6)-[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside, Alpha-1,6-mannanase | Authors: | Jin, Y, Williams, S, Davies, G. | Deposit date: | 2016-10-26 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 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
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5OHT
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![BU of 5oht by Molmil](/molmil-images/mine/5oht) | A GH31 family sulfoquinovosidase from E. coli in complex with aza-sugar inhibitor IFGSQ | Descriptor: | CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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7P1Y
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5DDT
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5DDV
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1IHI
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![BU of 1ihi by Molmil](/molmil-images/mine/1ihi) | Crystal Structure of Human Type III 3-alpha-Hydroxysteroid Dehydrogenase/Bile Acid Binding Protein (AKR1C2) Complexed with NADP+ and Ursodeoxycholate | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, ISO-URSODEOXYCHOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jin, Y, Stayrook, S.E, Albert, R.H, Palackal, N.T, Penning, T.M, Lewis, M. | Deposit date: | 2001-04-19 | Release date: | 2001-10-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human type III 3alpha-hydroxysteroid dehydrogenase/bile acid binding protein complexed with NADP(+) and ursodeoxycholate. Biochemistry, 40, 2001
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5AEG
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![BU of 5aeg by Molmil](/molmil-images/mine/5aeg) | A bacterial protein structure in glycoside hydrolase family 31. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-alpha-L-idopyranose, ALPHA-GLUCOSIDASE YIHQ, ... | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-30 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
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5AED
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![BU of 5aed by Molmil](/molmil-images/mine/5aed) | A bacterial protein structure in glycoside hydrolase family 31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-28 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
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5AEE
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![BU of 5aee by Molmil](/molmil-images/mine/5aee) | A bacterial protein structure in glycoside hydrolase family 31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ALPHA-GLUCOSIDASE YIHQ, ... | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-28 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
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5JTS
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![BU of 5jts by Molmil](/molmil-images/mine/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
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![BU of 5jug by Molmil](/molmil-images/mine/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
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![BU of 5ju9 by Molmil](/molmil-images/mine/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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5L77
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![BU of 5l77 by Molmil](/molmil-images/mine/5l77) | A glycoside hydrolase mutant with an unreacted activity based probe bound | Descriptor: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2016-06-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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5HS2
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8YT5
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![BU of 8yt5 by Molmil](/molmil-images/mine/8yt5) | SP1746 treated with EDTA, in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical) | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2024-03-25 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 2024
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5FOO
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![BU of 5foo by Molmil](/molmil-images/mine/5foo) | 6-phospho-beta-glucosidase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ... | Authors: | Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases. FEBS Lett., 590, 2016
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5G0M
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![BU of 5g0m by Molmil](/molmil-images/mine/5g0m) | beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound | Descriptor: | (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2016-03-21 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family To be Published
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5G0Q
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![BU of 5g0q by Molmil](/molmil-images/mine/5g0q) | beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound | Descriptor: | (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, BETA-GLUCURONIDASE, GLYCEROL | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2016-03-22 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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8JJK
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![BU of 8jjk by Molmil](/molmil-images/mine/8jjk) | SP1746 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, GLYCEROL, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-05-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 2024
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