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6IBW
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BU of 6ibw by Molmil
Crh5 transglycosylase in complex with NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Probable glycosidase crf1
Authors:Fang, W, Bartual, S.G, van Aalten, D.M.F.
Deposit date:2018-12-01
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
4BJU
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BU of 4bju by Molmil
Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target
Descriptor: MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE
Authors:Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F.
Deposit date:2013-04-19
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
Biosci.Rep, 33, 2013
4BMA
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BU of 4bma by Molmil
structural of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase
Descriptor: GLYCEROL, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE
Authors:Fang, W, Raimi, O.G, HurtadoGuerrero, R, vanAalten, D.M.F.
Deposit date:2013-05-07
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Genetic and Structural Validation of Aspergillus Fumigatus Udp-N-Acetylglucosamine Pyrophosphorylase as an Antifungal Target.
Mol.Microbiol., 89, 2013
7WIH
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BU of 7wih by Molmil
Cryo-EM structure of LY2794193-bound mGlu3
Descriptor: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WI6
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BU of 7wi6 by Molmil
Cryo-EM structure of LY341495/NAM-bound mGlu3
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WI8
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BU of 7wi8 by Molmil
Cryo-EM structure of inactive mGlu3 bound to LY341495
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
6IBU
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BU of 6ibu by Molmil
Apo Crh5 transglycosylase
Descriptor: GLYCEROL, Probable glycosidase crf1
Authors:Bartual, S.G, Fang, W, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
4CAW
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BU of 4caw by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
Descriptor: 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAX
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BU of 4cax by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646)
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Raimi, O.G, Robinson, D.A, Fang, W, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAV
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BU of 4cav by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879
Descriptor: 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4BQH
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BU of 4bqh by Molmil
Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor
Descriptor: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE
Authors:Fang, W, Raimi, O.G, vanAalten, D.M.F.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei.
Acs Chem.Biol., 8, 2013
7OYL
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BU of 7oyl by Molmil
Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F.
Deposit date:2021-06-24
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
7BZ2
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BU of 7bz2 by Molmil
Cryo-EM structure of the formoterol-bound beta2 adrenergic receptor-Gs protein complex.
Descriptor: Beta2 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhang, Y.N, Yang, F, Ling, S.L, Lv, P, Zhou, Y.X, Fang, W, Sun, W, Shi, P, Tian, C.L.
Deposit date:2020-04-26
Release date:2020-08-05
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Single-particle cryo-EM structural studies of the beta2AR-Gs complex bound with a full agonist formoterol.
Cell Discov, 6, 2020
5OA6
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BU of 5oa6 by Molmil
Crystal structure of ScGas2 in complex with compound 12
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-21
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9O
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BU of 5o9o by Molmil
Crystal structure of ScGas2 in complex with compound 7.
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2
Authors:Delso, I, Valero-Gonzalez, J, Fang, W, Gomollon-Bel, F, Castro-Lopez, J, Navratilova, I, van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-19
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9Y
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BU of 5o9y by Molmil
Crystal structure of ScGas2 in complex with compound 11
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9Q
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BU of 5o9q by Molmil
Crystal structure of ScGas2 in complex with compound 6
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9P
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BU of 5o9p by Molmil
Crystal structure of Gas2 in complex with compound 10
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-19
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5OA2
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BU of 5oa2 by Molmil
Crystal structure of ScGas2 in complex with compound 8
Descriptor: 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, SULFATE ION, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9R
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BU of 5o9r by Molmil
Crystal structure of ScGas2 in complex with compound 9
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
7U34
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BU of 7u34 by Molmil
The structure of phosphoglucose isomerase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, CITRATE ANION, GLYCEROL, ...
Authors:Yan, K, Kowalski, B, Fang, W, van Aalten, D.
Deposit date:2022-02-25
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
6L2G
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BU of 6l2g by Molmil
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase
Descriptor: Acetyl-CoA-acetyltransferase, putative
Authors:Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W.
Deposit date:2019-10-03
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
6L2C
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BU of 6l2c by Molmil
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase in complex with CoA
Descriptor: Acetyl-CoA-acetyltransferase, putative, COENZYME A
Authors:Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W.
Deposit date:2019-10-03
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
4AG7
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BU of 4ag7 by Molmil
C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct
Descriptor: COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE
Authors:Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F.
Deposit date:2012-01-24
Release date:2012-07-25
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1.
Acta Crystallogr.,Sect.D, 68, 2012
4AG9
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C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ...
Authors:Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F.
Deposit date:2012-01-24
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1.
Acta Crystallogr.,Sect.D, 68, 2012

 

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