Author results

2L7S
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DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF ADRENOMEDULLIN, A FIRST STEP TOWARDS THE ANALYSIS OF ITS INTERACTIONS WITH RECEPTORS AND SMALL MOLECULES
Descriptor:Adrenomedullin
Authors:Jimenez-Barbero, J., Perez-Castells, J., Nieto, L.
Deposit date:2010-12-21
Release date:2011-09-28
Last modified:2012-01-18
Method:SOLUTION NMR
Cite:Structure of micelle-bound adrenomedullin: a first step toward the analysis of its interactions with receptors and small molecules.
Biopolymers, 97, 2012
1T0W
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25 NMR STRUCTURES OF TRUNCATED HEVEIN OF 32 AA (HEVEIN-32) COMPLEX WITH N,N,N-TRIACETYLGLUCOSAMINA
Descriptor:Hevein, N-ACETYL-D-GLUCOSAMINE
Authors:Aboitiz, N., Vila-Perello, M., Groves, P., Asensio, J.L., Andreu, D., Canada, F.J., Jimenez-Barbero, J.
Deposit date:2004-04-13
Release date:2004-09-28
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR and modeling studies of protein-carbohydrate interactions: synthesis, three-dimensional structure, and recognition properties of a minimum hevein domain with binding affinity for chitooligosaccharides
Chembiochem, 5, 2004
1ZNT
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18 NMR STRUCTURES OF ACAMP2-LIKE PEPTIDE WITH NON NATURAL FLUOROAROMATIC RESIDUE (ACAMP2F18PFF/Y20PFF) COMPLEX WITH N,N,N-TRIACETYLCHITOTRIOSE
Descriptor:AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2, N-ACETYL-D-GLUCOSAMINE
Authors:Chavez, M.I., Andreu, C., Vidal, P., Aboitiz, N., Freire, F., Groves, P., Asensio, J.L., Asensio, G., Muraki, M., Canada, F.J., Jimenez-Barbero, J.
Deposit date:2005-05-12
Release date:2005-12-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
1ZWU
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30 NMR STRUCTURES OF ACAMP2-LIKE PEPTIDE WITH NON NATURAL BETA-(2-NAPHTHYL)-ALANINE RESIDUE.
Descriptor:AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 (ACMP2)
Authors:Chavez, M.I., Andreu, C., Vidal, P., Freire, F., Aboitiz, N., Groves, P., Asensio, J.L., Asensio, G., Muraki, M., Canada, F.J., Jimenez-Barbero, J.
Deposit date:2005-06-06
Release date:2005-12-06
Last modified:2011-08-03
Method:SOLUTION NMR
Cite:On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues.
Chemistry, 11, 2005
1ZUV
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24 NMR STRUCTURES OF ACAMP2-LIKE PEPTIDE WITH PHENYLALANINE 18 MUTATED TO TRYPTOPHAN
Descriptor:AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2
Authors:Chavez, M.I., Andreu, C., Vidal, P., Freire, F., Aboitiz, N., Groves, P., Asensio, J.L., Asensio, G., Muraki, M., Canada, F.J., Jimenez-Barbero, J.
Deposit date:2005-06-01
Release date:2005-12-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
1ZAE
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SOLUTION STRUCTURE OF THE FUNCTIONAL DOMAIN OF PHI29 REPLICATION ORGANIZER P16.7C
Descriptor:Early protein GP16.7
Authors:Asensio, J.L., Albert, A., Munoz-Espin, D., Gonzalez, C., Hermoso, J., Villar, L., Jimenez-Barbero, J., Salas, M., Meijer, W.J.J.
Deposit date:2005-04-06
Release date:2005-04-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the functional domain of phi29 replication organizer: insights into oligomerization and dna binding
J.Biol.Chem., 280, 2005
2ERM
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SOLUTION STRUCTURE OF A BIOLOGICALLY ACTIVE HUMAN FGF-1 MONOMER, COMPLEXED TO A HEXASACCHARIDE HEPARIN-ANALOGUE
Descriptor:Heparin-binding growth factor 1, 2-O-sulfo-alpha-L-idopyranuronic acid, N-SULFO-ALPHA-D-GLUCOSAMINE, ...
Authors:Canales, A., Lozano, R., Nieto, P.M., Martin-Lomas, M., Gimenez-Gallego, G., Jimenez-Barbero, J.
Deposit date:2005-10-25
Release date:2006-10-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution NMR structure of a human FGF-1 monomer, activated by a hexasaccharide heparin-analogue.
Febs J., 273, 2006
2H9X
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NMR STRUCTURE FOR THE CGNA TOXIN FROM THE SEA ANEMONE CONDYLACTIS GIGANTEA
Descriptor:Toxin CgNa
Authors:Lopez-Mendez, B., Perez-Castells, J., Gimenez-Gallego, G., Jimenez-Barbero, J.
Deposit date:2006-06-12
Release date:2007-06-05
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:CgNa, a type I toxin from the giant Caribbean sea anemone Condylactis gigantea shows structural similarities to both type I and II toxins, as well as distinctive structural and functional properties(1).
Biochem.J., 406, 2007
2L6S
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EFFICACY OF AN HIV-1 ENTRY INHIBITOR TARGETING THE GP41 FUSION PEPTIDE
Descriptor:VIR-576
Authors:Forssmann, W., The, Y., Stoll, M., Adermann, K., Albrecht, U., Barlos, K., Busmann, A., Canales-Mayordomo, A., Gimenez-Gallego, G., Hirsch, J., Jimenez-Barbero, J., Meyer-Olson, D., Muench, J., Perez-Castells, J., Standker, L., Kirchhoff, F., Schmidt, R.E.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
2L6T
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EFFICACY OF AN HIV-1 ENTRY INHIBITOR TARGETING THE GP41 FUSION PEPTIDE
Descriptor:VIR-576
Authors:Forssmann, W., The, Y., Stoll, M., Adermann, K., Albrecht, U., Barlos, K., Busmann, A., Can les-Mayordomo, A., Gimenez-Gallego, G., Hirsch, J., Jimenez-Barbero, J., Meyer-Olson, D., Muench, J., Perez-Castells, J., Staendker, L., Kirchhoff, F., Schmidt, R.E.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
2N0X
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THREE DIMENSIONAL STRUCTURE OF EPI-X4, A HUMAN ALBUMIN-DERIVED PEPTIDE THAT REGULATES INNATE IMMUNITY THROUGH THE CXCR4/CXCL12 CHEMOTACTIC AXIS AND ANTAGONIZES HIV-1 ENTRY
Descriptor:Serum albumin
Authors:Perez-Castells, J., Canales, A., Jimenez-Barbero, J., Gimenez-Gallego, G.
Deposit date:2015-03-18
Release date:2015-04-29
Last modified:2015-05-20
Method:SOLUTION NMR
Cite:Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
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
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
5FT4
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CRYSTAL STRUCTURE OF THE CYSTEINE DESULFURASE CSDA FROM ESCHERICHIA COLI AT 1.996 ANGSTROEM RESOLUTION
Descriptor:CYSTEINE DESULFURASE CSDA, PYRIDOXAL-5'-PHOSPHATE, GLYCEROL, ...
Authors:Fernandez, F.J., Arda, A., Lopez-Estepa, M., Aranda, J., Penya-Soler, E., Garces, F., Quintana, J.F., Round, A., Campos-Oliva, R., Bruix, M., Coll, M., Tunon, I., Jimenez-Barbero, J., Vega, M.C.
Deposit date:2016-01-11
Release date:2016-12-21
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model
Acs Catalysis, 6, 2016
5FT5
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CRYSTAL STRUCTURE OF THE CYSTEINE DESULFURASE CSDA (PERSULFURATED) FROM ESCHERICHIA COLI AT 2.384 ANGSTROEM RESOLUTION
Descriptor:L-CYSTEINE DESULFURASE CSDA, GLYCEROL, DI(HYDROXYETHYL)ETHER, ...
Authors:Fernandez, F.J., Arda, A., Lopez-Estepa, M., Aranda, J., Penya-Soler, E., Garces, F., Quintana, J.F., Round, A., Campos-Oliva, R., Bruix, M., Coll, M., Tunon, I., Jimenez-Barbero, J., Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FT6
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CRYSTAL STRUCTURE OF THE CYSTEINE DESULFURASE CSDA (S-SULFONIC ACID) FROM ESCHERICHIA COLI AT 2.050 ANGSTROEM RESOLUTION
Descriptor:CYSTEINE DESULFURASE CSDA, GLYCEROL, DI(HYDROXYETHYL)ETHER, ...
Authors:Fernandez, F.J., Arda, A., Lopez-Estepa, M., Aranda, J., Penya-Soler, E., Garces, F., Round, A., Campos-Oliva, R., Bruix, M., Coll, M., Tunon, I., Jimenez-Barbero, J., Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FT8
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE CYSTEINE DESULFURASE CSDA AND THE SULFUR-ACCEPTOR CSDE IN THE PERSULFURATED STATE AT 2.50 ANGSTROEM RESOLUTION
Descriptor:CYSTEINE DESULFURASE CSDA, SULFUR ACCEPTOR PROTEIN CSDE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Fernandez, F.J., Arda, A., Lopez-Estepa, M., Aranda, J., Penya-Soler, E., Garces, F., Round, A., Campos-Oliva, R., Bruix, M., Coll, M., Tunon, I., Jimenez-Barbero, J., Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 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
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
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