Author results

4D69
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SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN TN
Descriptor:LECTIN, SHORT ANTIGEN PEPTIDE, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ...
Authors:Madariaga, D., Martinez-Saez, N., Somovilla, V.J., Coelho, H., Valero-Gonzalez, J., Castro-Lopez, J., Asensio, J.L., Jimenez-Barbero, J., Busto, J.H., Avenoza, A., Marcelo, F., Hurtado-Guerrero, R., Corzana, F., Peregrina, J.M.
Deposit date:2014-11-10
Release date:2014-11-19
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition.
Acs Chem.Biol., 10, 2015
5NQA
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CRYSTAL STRUCTURE OF GALNAC-T4 IN COMPLEX WITH THE MONOGLYCOPEPTIDE 3
Descriptor:Polypeptide N-acetylgalactosaminyltransferase 4, Monoglycopeptide 3, 1,2-ETHANEDIOL, ...
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
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
5OWP
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CRYSTAL STRUCTURE OF GLYCOPEPTIDE "GVTSAFPDT*RPAP" IN COMPLEX WITH SCFV-SM3
Descriptor:Ig heavy chain V-III region J606,Ig lambda-1 chain V region H2020, 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, 1,2-ETHANEDIOL, ...
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:2017-12-27
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
6EGS
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CRYSTAL STRUCTURE OF THE GALNAC-T2 F104S MUTANT IN COMPLEX WITH UDP-GALNAC
Descriptor:Polypeptide N-acetylgalactosaminyltransferase 2, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
Authors:de las Rivas, M., Coelho, H., Diniz, A., Lira-Navarrete, E., Jimenez-Barbero, J., Schjoldager, K.T., Bennett, E.P., Vakhrushev, S.Y., Clausen, H., Corzana, F., Marcelo, F., Hurtado-Guerrero, R.
Deposit date:2017-09-12
Release date:2018-04-11
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts.
Chemistry, 24, 2018
6H0B
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CRYSTAL STRUCTURE OF THE HUMAN GALNAC-T4 IN COMPLEX WITH UDP, MANGANESE AND THE DIGLYCOPEPTIDE 6.
Descriptor:Polypeptide N-acetylgalactosaminyltransferase 4, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, 1,2-ETHANEDIOL, ...
Authors:de las Rivas, M., Daniel, E.J.P., Coelho, H., Lira-Navarrete, E., Raich, L., Companon, I., Diniz, A., Lagartera, L., Jimenez-Barbero, J., Clausen, H., Rovira, C., Marcelo, F., Corzana, F., Gerken, T.A., Hurtado-Guerrero, R.
Deposit date:2018-07-08
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
4D0T
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GALNAC-T2 CRYSTAL SOAKED WITH UDP-GALNAC, EA2 PEPTIDE AND MANGANESE
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, PEPTIDE, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E., Iglesias-Fernandez, J., Zandberg, W.F., Companon, I., Kong, Y., Corzana, F., Pinto, B.M., Clausen, H., Peregrina, J.M., Vocadlo, D., Rovira, C., Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D0Z
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GALNAC-T2 CRYSTAL SOAKED WITH UDP-5SGALNAC, MEA2 AND MANGANESE (HIGHER RESOLUTION DATASET)
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, PEPTIDE, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E., Iglesias-Fernandez, J., Zandberg, W.F., Companon, I., Kong, Y., Corzana, F., Pinto, B.M., Clausen, H., Peregrina, J.M., Vocadlo, D., Rovira, C., Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D11
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GALNAC-T2 CRYSTAL SOAKED WITH UDP-5SGALNAC, MEA2 PEPTIDE AND MANGANESE (LOWER RESOLUTION DATASET)
Descriptor:POLYPEPTIDE GALNAC-TRANSFERASE T2, PEPTIDE, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E., Iglesias-Fernandez, J., Zandberg, W.F., Companon, I., Kong, Y., Corzana, F., Pinto, B.M., Clausen, H., Peregrina, J.M., Vocadlo, D., Rovira, C., Hurtado-Guerrero, R.
Deposit date:2014-05-01
Release date:2014-05-28
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
5A2I
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-SGALNAC-RP
Descriptor:IG LAMBDA-1 CHAIN V REGION S43, ANTIGEN TN, SER IS COVALENTLY BOUND TO GALNAC, ...
Authors:Martinez-Saez, N., Castro-Lopez, J., Valero-Gonzalez, J., Madariaga, D., Companon, I., Somovilla, V.J., Salvado, M., Asensio, J.L., Jimenez-Barbero, J., Avenoza, A., Busto, J.H., Bernardes, G.J.L., Peregrina, J.M., Hurtado-Guerrero, R., Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A2J
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH THE NAKED PEPTIDE APDTRP
Descriptor:SCFV-SM3, THE NAKED PEPTIDE APDTRP, 1,2-ETHANEDIOL
Authors:Martinez-Saez, N., Castro-Lopez, J., Valero-Gonzalez, J., Madariaga, D., Companon, I., Somovilla, V.J., Salvado, M., Asensio, J.L., Jimenez-Barbero, J., Avenoza, A., Busto, J.H., Bernardes, G.J.L., Peregrina, J.M., Hurtado-Guerrero, R., Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A2K
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-TGALNAC-RP
Descriptor:IG LAMBDA-1 CHAIN V REGION S43, ANTIGEN TN, THR IS COVALENTLY BOUND TO GALNAC, ...
Authors:Martinez-Saez, N., Castro-Lopez, J., Valero-Gonzalez, J., Madariaga, D., Companon, I., Somovilla, V.J., Salvado, M., Asensio, J.L., Jimenez-Barbero, J., Avenoza, A., Busto, J.H., Bernardes, G.J.L., Peregrina, J.M., Hurtado-Guerrero, R., Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A2L
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-CGALNAC-RP
Descriptor:SCFV-SM3, MODIFIED ANTIGEN TN, 1,2-ETHANEDIOL, ...
Authors:Martinez-Saez, N., Castro-Lopez, J., Valero-Gonzalez, J., Madariaga, D., Companon, I., Somovilla, V.J., Salvado, M., Asensio, J.L., Jimenez-Barbero, J., Avenoza, A., Busto, J.H., Bernardes, G.J.L., Peregrina, J.M., Hurtado-Guerrero, R., Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5AJN
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CRYSTAL STRUCTURE OF THE INACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH THE GLYCOPEPTIDE MUC5AC-CYS13
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, MUCIN, SULFATE ION, ...
Authors:Lira-Navarrete, E., delasRivas, M., Companon, I., Pallares, M.C., Kong, Y., Iglesias-Fernandez, J., Bernardes, G.J.L., Peregrina, J.M., Rovira, C., Bernado, P., Bruscolini, P., Clausen, H., Lostao, A., Corzana, F., Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5AJO
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CRYSTAL STRUCTURE OF THE INACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH THE GLYCOPEPTIDE MUC5AC-3,13
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, MUCIN, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ...
Authors:Lira-Navarrete, E., delasRivas, M., Companon, I., Pallares, M.C., Kong, Y., Iglesias-Fernandez, J., Bernardes, G.J.L., Peregrina, J.M., Rovira, C., Bernado, P., Bruscolini, P., Clausen, H., Lostao, A., Corzana, F., Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5AJP
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CRYSTAL STRUCTURE OF THE ACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH UDP AND THE GLYCOPEPTIDE MUC5AC-13
Descriptor:POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, MUCIN, URIDINE-5'-DIPHOSPHATE, ...
Authors:Lira-Navarrete, E., delasRivas, M., Companon, I., Pallares, M.C., Kong, Y., Iglesias-Fernandez, J., Bernardes, G.J.L., Peregrina, J.M., Rovira, C., Bernado, P., Bruscolini, P., Clausen, H., Lostao, A., Corzana, F., Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5FOE
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CRYSTAL STRUCTURE OF THE C. ELEGANS PROTEIN O-FUCOSYLTRANSFERASE 2 (CEPOFUT2) DOUBLE MUTANT (R298K-R299K) IN COMPLEX WITH GDP AND THE HUMAN TSR1 FROM THROMBOSPONDIN 1
Descriptor:GDP-fucose protein O-fucosyltransferase 2,Thrombospondin-1, N-ACETYL-D-GLUCOSAMINE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Valero-Gonzalez, J., Leonhard-Melief, C., Lira-Navarrete, E., Jimenez-Oses, G., Hernandez-Ruiz, C., Pallares, M.C., Yruela, I., Vasudevan, D., Lostao, A., Corzana, F., Takeuchi, H., Haltiwanger, R.S., Hurtado-Guerrero, R.
Deposit date:2015-11-19
Release date:2016-01-27
Last modified:2017-03-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Proactive Role of Water Molecules in Acceptor Recognition of Thrombospondin Type 1 Repeats by Protein-O-Fucosyltransferase 2
Nat.Chem.Biol., 12, 2016
5FXC
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CRYSTAL STRUCTURE OF GLYCOPEPTIDE 22 IN COMPLEX WITH SCFV-SM3
Descriptor:SCFV-SM3, GLYCOPEPTIDE, 1,2-ETHANEDIOL
Authors:Rojas-Ocariz, V., Companon, I., Aydillo, C., Castro-Lopez, J., Jimenez-Barbero, J., Hurtado-Guerrero, R., Avenoza, A., Zurbano, M.M., Corzana, F., Busto, J.H., Peregrina, J.M.
Deposit date:2016-02-29
Release date:2016-06-29
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety
J.Org.Chem., 81, 2016
5N7B
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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:Ig heavy chain V-III region J606,Ig lambda-1 chain V region S43, APD(CG6)RP(NH2) peptide, 1,2-ETHANEDIOL, ...
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
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
To Be Published
6FC9
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THE 1,8-BIS(AMINOMETHYL)ANTHRACENE AND QUADRUPLEX-DUPLEX JUNCTION COMPLEX
Descriptor:DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium
Authors:Santana, A., Serrano, I., Montalvillo-Jimenez, L., Corzana, F., Bastida, A., Jimenez-Barbero, J., Gonzalez, C., Asensio, J.L.
Deposit date:2017-12-20
Release date:2019-04-10
Method:SOLUTION NMR
Cite:Minimalistic scaffolds for the selective recognition of Quad-ruplex-Duplex Junctions: Targeting the G4 Hot-Spot
To Be Published
6FRJ
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-SETHRGALNAC-RP
Descriptor:scFv-SM3, APD-SeThr-RP, 1,2-ETHANEDIOL, ...
Authors:Companon, I., Castro-Lopez, J., Escudero-Casao, M., Avenoza, A., Busto, J.H., Castillon, S., Jimenez-Barbero, J., Bernardes, G.J., Boutureira, O., Jimenez-Oses, G., Asensio, J.L., Peregrina, J.M., Hurtado-Guerrero, R., Corzana, F.
Deposit date:2018-02-16
Release date:2019-02-20
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.4 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
6FZQ
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH COMPOUND 3
Descriptor:scFv-1SM3,scFv-1SM3, Mucin-1, 1,2-ETHANEDIOL, ...
Authors:Bermejo, I.A., Usabiaga, I., Companon, I., Castro-Lopez, J., Insausti, A., Fernandez, J.A., Avenoza, A., Busto, J.H., Jimenez-Barbero, J., Asensio, J.L., Jimenez-Oses, G., Peregrina, J.M., Hurtado-Guerrero, R., Cocinero, E.J., Corzana, F.
Deposit date:2018-03-15
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The architecture behind the Tn antigen: Water sculpts their distinctive arrangement
To Be Published
6FZR
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH COMPOUND 2
Descriptor:scFv-SM3, Mucin-1, 1,2-ETHANEDIOL, ...
Authors:Bermejo, I.A., Usabiaga, I., Companon, I., Castro-Lopez, J., Insausti, A., Fernandez, J.A., Avenoza, A., Busto, J.H., Jimenez-Barbero, J., Asensio, J.L., Jimenez-Oses, G., Peregrina, J.M., Hurtado-Guerrero, R., Cocinero, E.J., Corzana, F.
Deposit date:2018-03-15
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The architecture behind the Tn antigen: Water sculpts their distinctive arrangement
To Be Published
2K40
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NMR STRUCTURE OF HESX-1 HOMEODOMAIN DOUBLE MUTANT R31L/E42L
Descriptor:Homeobox expressed in ES cells 1
Authors:Asensio, J., Torrado, M., Gonzalez, C., Bastida, A.
Deposit date:2008-05-26
Release date:2009-05-05
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The role of conserved salt-bridges on homeodomain stability
To be Published