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5M77
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BU of 5m77 by Molmil
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
5N0F
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BU of 5n0f by Molmil
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
6C80
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BU of 6c80 by Molmil
Crystal structure of a flax cytokinin oxidase
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wan, L, Williams, S, Kobe, B.
Deposit date:2018-01-23
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and functional insights into the modulation of the activity of a flax cytokinin oxidase by flax rust effector AvrL567-A.
Mol. Plant Pathol., 20, 2019
7AG4
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BU of 7ag4 by Molmil
Crystal structure of active site mutant of SQ Isomerase (YihS-H248A) from Salmonella enterica in complex with sulfofructose (SF)
Descriptor: 6-deoxy-6-sulfo-D-fructose, Sulfoquinovose isomerase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AGH
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BU of 7agh by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with AMPPNP-Mg
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Sulfofructose kinase
Authors:Sharma, M, Davies, G.J, Jin, Y.
Deposit date:2020-09-22
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG7
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BU of 7ag7 by Molmil
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
Descriptor: SULFATE ION, Sulfofructosephosphate aldolase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG1
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BU of 7ag1 by Molmil
Crystal structure of E. coli SFP aldolase (YihT) from sulfo-EMP pathway
Descriptor: 1,2-ETHANEDIOL, Sulfofructosephosphate aldolase
Authors:Sharma, M, Davies, G.J, Jin, Y.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG6
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BU of 7ag6 by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with sulfofructose (SF), ADP-Mg
Descriptor: 6-deoxy-6-sulfo-D-fructose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AGK
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BU of 7agk by Molmil
Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP)
Descriptor: Sulfofructose kinase, [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-22
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
3AXL
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BU of 3axl by Molmil
Murine Valpha 10 Vbeta 8.1 T-cell receptor
Descriptor: Valpha 10, Vbeta 8.1
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-04-11
Release date:2011-08-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
7BC0
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BU of 7bc0 by Molmil
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a binary complex with NADPH
Descriptor: Aryl-alcohol dehydrogenase, PHOSPHATE ION
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BC1
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BU of 7bc1 by Molmil
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a ternary complex with NADPH and glucose
Descriptor: Aryl-alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alpha-D-glucopyranose
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BBY
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BU of 7bby by Molmil
Crystal structure of aldo-keto reductase with C-terminal His tag from Agrobacterium tumefaciens
Descriptor: Aryl-alcohol dehydrogenase, PHOSPHATE ION
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BBZ
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BU of 7bbz by Molmil
Crystal structure of apo aldo-keto reductase from Agrobacterium tumefaciens
Descriptor: Aryl-alcohol dehydrogenase
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
6MSS
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BU of 6mss by Molmil
Diversity in the type II Natural Killer T cell receptor repertoire and antigen specificity leads to differing CD1d docking strategies
Descriptor: (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sundararaj, S, Le Nours, J, Praveena, T, Rossjohn, J.
Deposit date:2018-10-18
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Distinct CD1d docking strategies exhibited by diverse Type II NKT cell receptors.
Nat Commun, 10, 2019
6MRA
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BU of 6mra by Molmil
Diversity in the type II Natural Killer T cell receptor repertoire and antigen specificity leads to differing CD1d docking strategies
Descriptor: TCR alpha chain, TCR beta-chain
Authors:Sundararaj, S, Le Nours, J, Praveena, T, Rossjohn, J.
Deposit date:2018-10-12
Release date:2019-09-18
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Distinct CD1d docking strategies exhibited by diverse Type II NKT cell receptors.
Nat Commun, 10, 2019
8S5B
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BU of 8s5b by Molmil
Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand
Descriptor: Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
Authors:Snow, A.J.D, Sharma, M, Davies, G.J.
Deposit date:2024-02-23
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 2024
8THM
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BU of 8thm by Molmil
Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
Authors:Pulsford, S.B, Jackson, C.J.
Deposit date:2023-07-17
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP)
To Be Published
8Q59
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BU of 8q59 by Molmil
Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP)
Descriptor: (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
8Q5A
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BU of 8q5a by Molmil
Crystal structure of metal-dependent class II sulfofructosephosphate aldolase from Hafnia paralvei HpSqiA-Zn in complex with dihydroxyacetone phosphate (DHAP)
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Ketose-bisphosphate aldolase, ZINC ION
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
8Q58
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BU of 8q58 by Molmil
Crystal structure of metal-dependent classII sulfofructosephosphate aldolase (SFPA) from Hafnia paralvei HpSqiA-Zn
Descriptor: Ketose-bisphosphate aldolase, ZINC ION
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
8Q57
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BU of 8q57 by Molmil
Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
5TEB
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BU of 5teb by Molmil
Crystal Structure of the TIR domain from the Arabidopsis Thaliana disease resistance protein RPP1
Descriptor: Recognition of Peronospora parasitica 1
Authors:Bentham, A.R, Zhang, X, Croll, T, Williams, S, Kobe, B.
Deposit date:2016-09-20
Release date:2017-02-01
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Multiple functional self-association interfaces in plant TIR domains.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RQK
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BU of 6rqk by Molmil
Crystal structure of GH125 1,6-alpha-mannosidase from Clostridium perfringens in complex with mannoimidazole
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,6-mannosidase
Authors:Males, A, Davies, G.J.
Deposit date:2019-05-16
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Distortion of mannoimidazole supports a B2,5boat transition state for the family GH125 alpha-1,6-mannosidase from Clostridium perfringens.
Org.Biomol.Chem., 17, 2019
6SMY
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BU of 6smy by Molmil
Crystal structure of SLA Reductase YihU from E. Coli with NADH and product DHPS
Descriptor: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sharma, M, Davies, G.J.
Deposit date:2019-08-23
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020

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