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PDB: 317 results

3ZY5
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BU of 3zy5 by Molmil
Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-I)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, ...
Authors:Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY3
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BU of 3zy3 by Molmil
Crystal structure of POFUT1 in complex with GDP (crystal-form-III)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION
Authors:Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY6
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BU of 3zy6 by Molmil
Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-II)
Descriptor: GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1
Authors:Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY2
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BU of 3zy2 by Molmil
Crystal structure of POFUT1 in complex with GDP (High resolution dataset)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1
Authors:Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
5OWP
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BU of 5owp by Molmil
Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, ...
Authors:Bermejo, I.A, Albuquerque, I.S, Somovilla, V.J, Martinez-Saez, N, Castro-Lopez, J, Garcia-Martin, F, Hinou, H, Nishimura, S, Jimenez-Barbero, J, Asensio, J.L, Avenoza, A, Busto, J.H, Hurtado-Guerrero, R, Peregrina, J.M, Bernardes, G.J, Corzana, F.
Deposit date:2017-09-02
Release date:2017-12-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer.
J. Am. Chem. Soc., 139, 2017
3KGZ
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BU of 3kgz by Molmil
Crystal structure of a cupin 2 conserved barrel domain protein from Rhodopseudomonas palustris
Descriptor: Cupin 2 conserved barrel domain protein, MANGANESE (II) ION
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Do, J, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-29
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a cupin 2 conserved barrel domain protein from Rhodopseudomonas palustris
To be Published
3ZC3
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BU of 3zc3 by Molmil
FERREDOXIN-NADP REDUCTASE (MUTATION S80A) COMPLEXED WITH NADP BY COCRYSTALLIZATION
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Martinez-Julvez, M, Hurtado-Guerrero, R, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M.
Deposit date:2012-11-15
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency.
Biochim.Biophys.Acta, 1837, 2013
2Q5E
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BU of 2q5e by Molmil
Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
Descriptor: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
7QDG
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BU of 7qdg by Molmil
SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M.
Deposit date:2021-11-27
Release date:2022-05-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation.
Plos Pathog., 18, 2022
7QDH
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BU of 7qdh by Molmil
SARS-CoV-2 S protein S:D614G mutant 1-up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M.
Deposit date:2021-11-27
Release date:2022-05-25
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation.
Plos Pathog., 18, 2022
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
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:2024-10-23
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
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:2024-10-16
Method:X-RAY DIFFRACTION (2.15 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
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:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
2PZF
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BU of 2pzf by Molmil
Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X.
Deposit date:2007-05-18
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010
3BHW
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BU of 3bhw by Molmil
Crystal structure of an uncharacterized protein from Magnetospirillum magneticum
Descriptor: Uncharacterized protein
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-29
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of an uncharacterized protein from Magnetospirillum magneticum.
To be Published
3BGH
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BU of 3bgh by Molmil
Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori
Descriptor: Putative neuraminyllactose-binding hemagglutinin homolog, SULFATE ION
Authors:Bonanno, J.B, Dickey, J, Bain, K.T, McKenzie, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-26
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori.
To be Published
3C8T
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BU of 3c8t by Molmil
Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1
Descriptor: Fumarate lyase
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-13
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1.
To be Published
3BS4
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BU of 3bs4 by Molmil
Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide
Descriptor: Uncharacterized protein PH0321, Unknown peptide
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-12-21
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide.
To be Published
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:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5NDX
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BU of 5ndx by Molmil
The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Glycosyl hydrolase, SULFATE ION
Authors:Raich, L, Valero-Gonzalez, J, Castro-Lopez, J, Millan, C, Jimenez-Garcia, M.J, Nieto, P, Uson, I, Hurtado-Guerrero, R, Rovira, C.
Deposit date:2017-03-09
Release date:2018-07-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I.
To Be Published
5NQA
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BU of 5nqa by Molmil
Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, ...
Authors:de las Rivas, M, Lira-Navarrete, E, Daniel, E.J.P, Companon, I, Coelho, H, Diniz, A, Jimenez-Barbero, J, Peregrina, J.M, Clausen, H, Corzana, F, Marcelo, F, Jimenez-Oses, G, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2017-04-19
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences.
Nat Commun, 8, 2017
5N7B
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BU of 5n7b by Molmil
Understanding the singular conformational landscape of the Tn antigens: Sulfur-for- oxygen substitution in the glycosidic linkage provides new insights into molecular recognition by an antibody
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD(CG6)RP(NH2) peptide, ...
Authors:Companon, I, Martinez-Saez, N, Castro-Lopez, J, Jimenez-Barbero, J, Bernardes, G.J.L, Busto, J.H, Avenoza, A, Jimenez-Oses, G, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
Deposit date:2017-02-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J.Am.Chem.Soc., 141, 2019

226707

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