2JON
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SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OLE E 9
Descriptor:Beta-1,3-glucanase
Authors:Trevino, M.A., Palomares, O., Castrillo, I., Villalba, M., Rodriguez, R., Rico, M., Santoro, J., Bruix, M.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
2W61
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SACCHAROMYCES CEREVISIAE GAS2P APOSTRUCTURE (E176Q MUTANT)
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W62
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARIPENTAOSE
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, BETA-D-GLUCOSE, 1,4-BUTANEDIOL
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W63
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARITRIOSE AND LAMINARITETRAOSE
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, BETA-D-GLUCOSE
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., Van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
5FIH
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SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE
Descriptor:1,3-BETA-GLUCANOSYLTRANSFERASE, ALPHA-D-GLUCOSE, BETA-D-GLUCOSE
Authors:Raich, L., Borodkin, V., van Aalten, D.M.F., Hurtado-Guerrero, R., Rovira, C.
Deposit date:2015-09-25
Release date:2016-02-17
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations.
J.Am.Chem.Soc., 138, 2016
5O9O
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CRYSTAL STRUCTURE OF SCGAS2 IN COMPLEX WITH COMPOUND 7.
Descriptor:1,3-beta-glucanosyltransferase GAS2, (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
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
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9P
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CRYSTAL STRUCTURE OF GAS2 IN COMPLEX WITH COMPOUND 10
Descriptor:1,3-beta-glucanosyltransferase GAS2, (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
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
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9Q
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CRYSTAL STRUCTURE OF SCGAS2 IN COMPLEX WITH COMPOUND 6
Descriptor:1,3-beta-glucanosyltransferase GAS2, BETA-D-GLUCOSE, (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
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
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9R
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CRYSTAL STRUCTURE OF SCGAS2 IN COMPLEX WITH COMPOUND 9
Descriptor:1,3-beta-glucanosyltransferase GAS2, BETA-D-GLUCOSE, (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, ...
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
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9Y
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CRYSTAL STRUCTURE OF SCGAS2 IN COMPLEX WITH COMPOUND 11
Descriptor:1,3-beta-glucanosyltransferase GAS2, (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, ...
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
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5OA2
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CRYSTAL STRUCTURE OF SCGAS2 IN COMPLEX WITH COMPOUND 8
Descriptor:1,3-beta-glucanosyltransferase GAS2, 1,2-ETHANEDIOL, 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
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5OA6
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CRYSTAL STRUCTURE OF SCGAS2 IN COMPLEX WITH COMPOUND 12
Descriptor:1,3-beta-glucanosyltransferase GAS2, (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, 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:2017-06-21
Release date:2018-05-02
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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