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New PDB entries with X-ray structure factor data
7H9B
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9C
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31721188 (CHIKV_MacB-x1421)
Descriptor: (3-hydroxyphenyl)(morpholin-4-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9D
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728187792 (CHIKV_MacB-x1423)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1H-imidazol-2-yl)pyridine, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9E
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z234895085 (CHIKV_MacB-x1431)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9F
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z415653738 (CHIKV_MacB-x1435)
Descriptor: 1H-indole-4-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9G
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203162487 (CHIKV_MacB-x1440)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, ISOQUINOLIN-1-AMINE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9H
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methyl-1~{H}-benzimidazole, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9I
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9J
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-6-methylpyridin-2-amine, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
8EWW
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BU of 8eww by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A
Descriptor: Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
8EY1
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BU of 8ey1 by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A in complex with N-(3-oxododecanoyl)-L-homoserine lactone
Descriptor: Fatty acid amide hydrolase, N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
8EY9
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BU of 8ey9 by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A in complex with 9-hydroxy-10,12-octadecadienoyl-ethanolamide
Descriptor: (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide, Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
8F9O
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BU of 8f9o by Molmil
Dog sialic acid esterase (SIAE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid acetylesterase, ...
Authors:Ide, D, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-11-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Dog sialic acid esterase (SIAE)
To Be Published
8F9P
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Dog sialic acid esterase (SIAE) inactive mutant S128A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Ide, D, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-11-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dog sialic acid esterase (SIAE) inactive mutant S128A
To Be Published
8F9Q
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BU of 8f9q by Molmil
Guinea pig sialic acid esterase (SIAE)
Descriptor: Sialic acid acetylesterase, 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, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ide, D, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-11-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Guinea pig sialic acid esterase (SIAE)
To Be Published
8F9R
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Rabbit sialic acid esterase (SIAE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid acetylesterase, ...
Authors:Ide, D, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-11-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Rabbit sialic acid esterase (SIAE)
To Be Published
8FAY
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Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
Descriptor: Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*CP*AP*(NR1)P*GP*TP*CP*T)-3'), ...
Authors:Trasvina-Arenas, C.H, Lin, W.J, Demir, M, Fisher, A.J, David, S.S, Horvath, M.P.
Deposit date:2022-11-29
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
To Be Published
8FSL
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BU of 8fsl by Molmil
Human Mesothelin bound to a neutralizing VH domain antibody
Descriptor: Mesothelin, VH domain
Authors:Calero, G.
Deposit date:2023-01-10
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Preclinical assessment of a novel human antibody VH domain targeting mesothelin as an antibody-drug conjugate.
Mol Ther Oncolytics, 31, 2023
8GCJ
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PCNA
Descriptor: Proliferating cell nuclear antigen
Authors:Vandborg, B.C, Bruning, J.B.
Deposit date:2023-03-01
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of apo pcna
To Be Published
8HJF
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Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with M5, state 2
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Li, M, Zhang, S, Cui, S.
Deposit date:2022-11-23
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogropides
To Be Published
8HJG
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Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with M5, state 1
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Li, M, Zhang, S, Cui, S.
Deposit date:2022-11-23
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogrosides
To Be Published
8HJH
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Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with SIA, state 3
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17R)-3-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Li, M, Zhang, S, Cui, S.
Deposit date:2022-11-23
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogrosides
To Be Published
8HJK
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Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with SIA, state 1
Descriptor: (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17R)-3-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol, URIDINE-5'-DIPHOSPHATE, glycosyltranseferease
Authors:Li, M, Zhang, S, Cui, S.
Deposit date:2022-11-23
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogrosides
To Be Published
8HJL
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Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with M3E
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8S,9R,10S,11S,13R,14S,17S)-17-[(2S,5R)-5-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Li, M, Zhang, S, Cui, S.
Deposit date:2022-11-23
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogrosides
To Be Published
8HJN
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Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with UPG
Descriptor: URIDINE-5'-DIPHOSPHATE-GLUCOSE, glycosyltransferase
Authors:Li, M, Zhang, S, Cui, S.
Deposit date:2022-11-23
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogrosides
To Be Published

220472

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