2L7S
| |
5OWP
| 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: | 2024-01-17 | 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
|
|
1T0W
| 25 NMR structures of Truncated Hevein of 32 aa (Hevein-32) complex with N,N,N-triacetylglucosamina | Descriptor: | 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, Hevein | 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: | 2020-07-29 | 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
|
|
6EGS
| Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, 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: | 2024-01-17 | 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
|
|
1ZWU
| 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: | 2021-10-20 | 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
|
|
1ZNT
| 18 NMR structures of AcAMP2-Like Peptide with non Natural Fluoroaromatic Residue (AcAMP2F18Pff/Y20Pff) complex with N,N,N-triacetylchitotriose | Descriptor: | 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, AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | 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: | 2020-07-29 | 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
|
|
6Y6D
| Tubulin-7-Aminonoscapine complex | Descriptor: | (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Oliva, M.A, Prota, A.E, Rodriguez-Salarichs, J, Gu, W, Bennani, Y.L, Jimenez-Barbero, J, Canales, A, Steinmetz, M.O, Diaz, J.F. | Deposit date: | 2020-02-26 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Noscapine Activation for Tubulin Binding. J.Med.Chem., 63, 2020
|
|
6HMH
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | Deposit date: | 2018-09-12 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase. Org.Lett., 20, 2018
|
|
7QUI
| Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
|
|
7QU6
| Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
|
|
6HMG
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | Deposit date: | 2018-09-12 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase. Org.Lett., 20, 2018
|
|
1ZUV
| 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: | 2022-03-02 | 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
|
|
2ERM
| Solution structure of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue | Descriptor: | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, ISOPROPYL ALCOHOL | 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: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a human FGF-1 monomer, activated by a hexasaccharide heparin-analogue. Febs J., 273, 2006
|
|
6TEY
| |
5A2L
| Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | 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: | 2024-01-10 | 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
|
|
5A2I
| Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | 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: | 2024-01-10 | 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
| Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | 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: | 2024-01-10 | 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
| Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | 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: | 2024-01-10 | 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
|
|
7QUH
| Siglec-8 in complex with therapeutic Fab AK002. | Descriptor: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | Authors: | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.867 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
|
|
1ZAE
| 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: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the functional domain of phi29 replication organizer: insights into oligomerization and dna binding J.Biol.Chem., 280, 2005
|
|
2BNK
| The structure of phage phi29 replication organizer protein p16.7 | Descriptor: | EARLY PROTEIN GP16.7 | Authors: | Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J. | Deposit date: | 2005-03-28 | Release date: | 2005-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding. J.Biol.Chem., 280, 2005
|
|
2H9X
| 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: | 2022-03-09 | 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
|
|
6FRJ
| Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | 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: | 2024-01-17 | 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
| Crystal structure of scFv-SM3 in complex with compound 3 | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | 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 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition. J.Am.Chem.Soc., 140, 2018
|
|
6FZR
| Crystal structure of scFv-SM3 in complex with compound 2 | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | 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 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition. J.Am.Chem.Soc., 140, 2018
|
|