4BMA
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![BU of 4bma by Molmil](/molmil-images/mine/4bma) | 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
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4BQH
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![BU of 4bqh by Molmil](/molmil-images/mine/4bqh) | 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
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4BJU
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![BU of 4bju by Molmil](/molmil-images/mine/4bju) | 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
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6IBW
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![BU of 6ibw by Molmil](/molmil-images/mine/6ibw) | 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
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7WI6
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![BU of 7wi6 by Molmil](/molmil-images/mine/7wi6) | 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
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7WIH
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![BU of 7wih by Molmil](/molmil-images/mine/7wih) | 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
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7WI8
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![BU of 7wi8 by Molmil](/molmil-images/mine/7wi8) | 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
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6L2G
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![BU of 6l2g by Molmil](/molmil-images/mine/6l2g) | 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
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6L2C
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![BU of 6l2c by Molmil](/molmil-images/mine/6l2c) | 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
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7DHI
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![BU of 7dhi by Molmil](/molmil-images/mine/7dhi) | Cryo-EM structure of the partial agonist salbutamol-bound beta2 adrenergic receptor-Gs protein complex. | Descriptor: | Beta-2 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: | Yang, F, Ling, S.L, Zhou, Y.X, Zhang, Y.N, Lv, P, Liu, S.L, Fang, W, Sun, W.J, Hu, L.Y.A. | Deposit date: | 2020-11-15 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Different Conformational Responses of the beta2-Adrenergic Receptor-Gs Complex upon Binding of the Partial Agonist Salbutamol or the Full Agonist Isoprenaline Natl Sci Rev, 2020
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8BDG
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![BU of 8bdg by Molmil](/molmil-images/mine/8bdg) | Tubulin-taxane-2b complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDE
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![BU of 8bde by Molmil](/molmil-images/mine/8bde) | Tubulin-baccatin III complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDF
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![BU of 8bdf by Molmil](/molmil-images/mine/8bdf) | Tubulin-taxane-2a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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7OYL
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![BU of 7oyl by Molmil](/molmil-images/mine/7oyl) | 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
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7BZ2
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![BU of 7bz2 by Molmil](/molmil-images/mine/7bz2) | 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
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4AG7
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![BU of 4ag7 by Molmil](/molmil-images/mine/4ag7) | 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
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4AG9
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![BU of 4ag9 by Molmil](/molmil-images/mine/4ag9) | 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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5O9P
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![BU of 5o9p by Molmil](/molmil-images/mine/5o9p) | 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
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5O9R
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![BU of 5o9r by Molmil](/molmil-images/mine/5o9r) | 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
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7U34
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![BU of 7u34 by Molmil](/molmil-images/mine/7u34) | 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
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5OA6
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![BU of 5oa6 by Molmil](/molmil-images/mine/5oa6) | 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
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5O9O
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![BU of 5o9o by Molmil](/molmil-images/mine/5o9o) | 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
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5O9Y
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![BU of 5o9y by Molmil](/molmil-images/mine/5o9y) | 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
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5O9Q
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![BU of 5o9q by Molmil](/molmil-images/mine/5o9q) | 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
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5OA2
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![BU of 5oa2 by Molmil](/molmil-images/mine/5oa2) | 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
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