6Z3N
 
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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: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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6Z3O
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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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8JKA
 | | SP1746 in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, FE (III) ION, SULFATE ION, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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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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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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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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8JJA
 | | SP1746 in complex with acetate ions | | Descriptor: | ACETATE ION, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical) | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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8JK8
 | | SP1746 in complex with UDP | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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8JK5
 | | Crystal structure of SP1746 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-05-31 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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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: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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8JK9
 | | SP1746 in complex with GDP | | Descriptor: | FE (III) ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jin, Y, Ke, J, Niu, L. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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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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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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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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8JKR
 | | SP1746 in complex with UMP | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | | Authors: | Jin, Y, Niu, L, Ke, J. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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8JKP
 | | SP1746 in complex with dTMP | | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Jin, Y, Ke, J, Niu, L. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
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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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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
 | | 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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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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7P1Y
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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: | 2024-10-16 | | 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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