8U32
| Crystal structure of PD-1 in complex with a Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Sun, D, Masureel, M. | Deposit date: | 2023-09-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability. Mabs, 16, 2024
|
|
7UVF
| Crystal structure of ZED8 Fab complex with CD8 alpha | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | Authors: | Yu, C, Davies, C, Koerber, J.T, Williams, S. | Deposit date: | 2022-05-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy. Eur J Nucl Med Mol Imaging, 50, 2023
|
|
7UXO
| Structure of PDL1 in complex with FP30790, a Helicon Polypeptide | Descriptor: | AMINO GROUP, FP30790, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UXQ
| Structure of PDL1 in complex with FP28135, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UXP
| Structure of PDL1 in complex with FP28132, a Helicon Polypeptide | Descriptor: | AMINO GROUP, FP28132, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UX5
| Structure of PDL1 in complex with FP28136, a Helicon Polypeptide | Descriptor: | Helicon FP28136, N,N'-(1,4-phenylene)diacetamide, Programmed cell death 1 ligand 1 | Authors: | Agarwal, S, Li, K, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VUX
| Complex structure of PD1 and 609A-Fab | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X. | Deposit date: | 2021-11-04 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties. Mabs, 14, 2022
|
|
7VYT
| Crystal structure of human TIGIT(23-129) in complex with the scFv fragment of anti-TIGIT antibody MG1131 | Descriptor: | CITRATE ANION, MG1131 heavy chain variable region, MG1131 light chain variable region, ... | Authors: | Jeong, B.-S, Nam, H, Kim, M, Oh, B.-H. | Deposit date: | 2021-11-15 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural and functional characterization of a monoclonal antibody blocking TIGIT. Mabs, 14, 2022
|
|
8X6B
| Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | Authors: | Hu, S.T, Han, P, Wang, H, Qi, J.X. | Deposit date: | 2023-11-21 | Release date: | 2024-04-24 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2. Structure, 32, 2024
|
|
9EO0
| Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | Deposit date: | 2024-03-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
|
|
9ERY
| Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | Descriptor: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION | Authors: | Plewka, J, Magiera-Mularz, K, Zhang, W. | Deposit date: | 2024-03-25 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors. Eur.J.Med.Chem., 276, 2024
|
|
5N2F
| Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
|
|
5N7B
| 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
|
|
3Q0H
| Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) | Descriptor: | T cell immunoreceptor with Ig and ITIM domains | Authors: | Ramagopal, U.A, Guo, H, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2010-12-15 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) To be published
|
|
5O4Y
| Structure of human PD-L1 in complex with inhibitor | Descriptor: | PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | Authors: | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-05-31 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5MJ0
| |
5N2D
| Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
|
|
5MJ1
| Extracellular domain of human CD83 - rhombohedral crystal form | Descriptor: | CD83 antigen, DI(HYDROXYETHYL)ETHER | Authors: | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | Deposit date: | 2016-11-29 | Release date: | 2017-03-29 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. J. Mol. Biol., 429, 2017
|
|
5MJ2
| Extracellular domain of human CD83 - rhombohedral crystal form after UV-RIP (S-SAD data) | Descriptor: | CD83 antigen, DI(HYDROXYETHYL)ETHER | Authors: | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | Deposit date: | 2016-11-29 | Release date: | 2017-03-29 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. J. Mol. Biol., 429, 2017
|
|
5MIX
| |
3R0N
| Crystal Structure of the Immunoglobulin variable domain of Nectin-2 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poliovirus receptor-related protein 2 | Authors: | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2011-03-08 | Release date: | 2011-04-27 | Last modified: | 2012-11-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Nectin-2 reveals determinants of homophilic and heterophilic interactions that control cell-cell adhesion. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
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
|
|
3UPC
| A general strategy for the generation of human antibody variable domains with increased aggregation resistance | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ... | Authors: | Dudgeon, K, Rouet, R, Kokmeijer, I, Langley, D.B, Christ, D. | Deposit date: | 2011-11-17 | Release date: | 2012-06-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | General strategy for the generation of human antibody variable domains with increased aggregation resistance Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3UPA
| A general strategy for the generation of human antibody variable domains with increased aggregation resistance | Descriptor: | kappa light chain variable domain | Authors: | Dudgeon, K, Rouet, R, Kokmeijer, I, Langley, D.B, Christ, D. | Deposit date: | 2011-11-17 | Release date: | 2012-06-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | General strategy for the generation of human antibody variable domains with increased aggregation resistance Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5O45
| Structure of human PD-L1 in complex with inhibitor | Descriptor: | PHE-MEA-9KK-SAR-ASP-VAL-MEA-TYR-SAR-TRP-TYR-LEU-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | Authors: | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-05-26 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|