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6GRN
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BU of 6grn by Molmil
CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site
Descriptor: 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ...
Authors:Sandgren, M, Fagerstrom, A, Widmalm, G, Stahlberg, J.
Deposit date:2018-06-11
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A.
Chemistry, 24, 2018
2WNE
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BU of 2wne by Molmil
Mutant Laminarinase 16A cyclizes laminariheptaose
Descriptor: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H.M, Hansson, H, Engstrom, A, Einarsson, E, Forsberg, Z, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
Deposit date:2009-07-09
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
2WLQ
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BU of 2wlq by Molmil
Nucleophile-disabled Lam16A mutant holds laminariheptaose (L7) in a cyclical conformation
Descriptor: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H, Hansson, H, Engstrom, A, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
Deposit date:2009-06-24
Release date:2010-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
7OLL
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BU of 7oll by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2b and Tris
Descriptor: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLR
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BU of 7olr by Molmil
Dioxygenase AsqJ in complex with 2 and alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLK
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BU of 7olk by Molmil
Dioxygenase AsqJ in complex with 2b and Tris
Descriptor: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLO
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BU of 7olo by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol
Descriptor: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, BROMIDE ION, CHLORIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLQ
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BU of 7olq by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLM
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BU of 7olm by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2b-O-O and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one, BROMIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLT
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BU of 7olt by Molmil
Dioxygenase AsqJ in complex with 2 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLP
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BU of 7olp by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2 and alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
4URR
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BU of 4urr by Molmil
Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment
Descriptor: 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ...
Authors:Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2014-07-01
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
6DGM
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BU of 6dgm by Molmil
Streptococcus pyogenes phosphoglycerol transferase GacH in complex with sn-glycerol-1-phosphate
Descriptor: CALCIUM ION, MANGANESE (II) ION, Phosphoglycerol transferase GacH, ...
Authors:Edgar, R.J, Korotkova, N, Korotkov, K.V.
Deposit date:2018-05-17
Release date:2018-06-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of glycerol phosphate modification on streptococcal rhamnose polysaccharides.
Nat.Chem.Biol., 15, 2019
6DQ3
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BU of 6dq3 by Molmil
Streptococcus pyogenes deacetylase PplD in complex with acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ...
Authors:Li, J, Korotkova, N, Korotkov, K.V.
Deposit date:2018-06-10
Release date:2019-05-01
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PplD is a de-N-acetylase of the cell wall linkage unit of streptococcal rhamnopolysaccharides
Nat Commun, 13, 2022
8BHW
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BU of 8bhw by Molmil
Full-length bacterial polysaccharide co-polymerase WzzE from E. coli. C4 symmetry
Descriptor: ECA polysaccharide chain length modulation protein
Authors:Wiseman, B, Hogbom, M.
Deposit date:2022-11-01
Release date:2023-07-26
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Alternating L4 loop architecture of the bacterial polysaccharide co-polymerase WzzE.
Commun Biol, 6, 2023
6RBG
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BU of 6rbg by Molmil
full-length bacterial polysaccharide co-polymerase
Descriptor: Chain length determinant protein
Authors:Wiseman, B, Nitharwal, R.G, Hogbom, M.
Deposit date:2019-04-10
Release date:2020-11-18
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of a full-length bacterial polysaccharide co-polymerase.
Nat Commun, 12, 2021
5U9Z
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BU of 5u9z by Molmil
Phosphoglycerol transferase GacH from Streptococcus pyogenes
Descriptor: MANGANESE (II) ION, PHOSPHOGLYCEROL TRANSFERASE
Authors:Edgar, R.J, Korotkova, N, Korotkov, K.V.
Deposit date:2016-12-18
Release date:2017-12-20
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of glycerol phosphate modification on streptococcal rhamnose polysaccharides.
Nat.Chem.Biol., 15, 2019
5TPB
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BU of 5tpb by Molmil
Binding domain of BoNT/A complexed with ganglioside variant
Descriptor: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
Deposit date:2016-10-20
Release date:2017-01-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5TPC
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BU of 5tpc by Molmil
Binding domain of BoNT/A complexed with ganglioside
Descriptor: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
Deposit date:2016-10-20
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
8P3O
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BU of 8p3o by Molmil
Full-length bacterial polysaccharide co-polymerase WzzE mutant R267A from E. coli. C4 symmetry
Descriptor: ECA polysaccharide chain length modulation protein
Authors:Wiseman, B, Hogbom, M.
Deposit date:2023-05-18
Release date:2023-07-26
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Alternating L4 loop architecture of the bacterial polysaccharide co-polymerase WzzE.
Commun Biol, 6, 2023
8P3P
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BU of 8p3p by Molmil
Full-length bacterial polysaccharide co-polymerase WzzE mutant R267E from E. coli. C4 symmetry
Descriptor: ECA polysaccharide chain length modulation protein
Authors:Wiseman, B, Hogbom, M.
Deposit date:2023-05-18
Release date:2023-07-26
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Alternating L4 loop architecture of the bacterial polysaccharide co-polymerase WzzE.
Commun Biol, 6, 2023

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