2X44
 
 | | Structure of a strand-swapped dimeric form of CTLA-4 | | Descriptor: | CYTOTOXIC T-LYMPHOCYTE PROTEIN 4 | | Authors: | Sonnen, A.F.-P, Yu, C, Evans, E.J, Stuart, D.I, Davis, S.J, Gilbert, R.J.C. | | Deposit date: | 2010-01-28 | | Release date: | 2010-04-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Domain Metastability: A Molecular Basis for Immunoglobulin Deposition?
J.Mol.Biol., 399, 2010
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2YZ1
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2W0L
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2YWZ
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9HK1
 | | PD1 signaling receptor bound to FAB Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody FAB heavy chain, Antibody FAB light chain, ... | | Authors: | Bjorkelid, C, Paluch, C, Robertson, N.J. | | Deposit date: | 2024-12-02 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Antibody agonists trigger immune receptor signaling through local exclusion of receptor-type protein tyrosine phosphatases.
Immunity, 57, 2024
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9INU
 | | Novel PD-L1/VISTA dual inhibitor as potential immunotherapy agents | | Descriptor: | (2~{S})-2-[[6-methoxy-2-[(2-methyl-3-phenyl-phenyl)amino]pyrimidin-4-yl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Xiao, Y.B. | | Deposit date: | 2024-07-08 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel PD-L1/VISTA Dual Inhibitor as Potential Immunotherapy Agents.
J.Med.Chem., 68, 2025
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9DQ4
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9DQ3
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9DQ5
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9HRT
 | | Structure of human PD-L1 in complex with clinically evaluated inhibitor | | Descriptor: | (2~{R})-2-[[3-[(~{E})-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Slota, A, Golebiowska-Mendroch, K, Plewka, J, Magiera-Mularz, K. | | Deposit date: | 2024-12-18 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of Clinically Evaluated Small-Molecule Inhibitors of PD-L1 for Immunotherapy
Acs Med.Chem.Lett., 2025
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9I0W
 | | Structure of human PD-L1 in complex with clinically evaluated inhibitor | | Descriptor: | (3~{R})-1-[[7-(iminomethyl)-2-[2-methyl-3-[2-methyl-3-[[3-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid, Programmed cell death 1 ligand 1 | | Authors: | Plewka, J, Golebiowska-Mendroch, K, Slota, A, Magiera-Mularz, K. | | Deposit date: | 2025-01-15 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of Clinically Evaluated Small-Molecule Inhibitors of PD-L1 for Immunotherapy
Acs Med.Chem.Lett., 2025
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9I0U
 | | Structure of human PD-L1 in complex with clinically evaluated inhibitor | | Descriptor: | (5~{S})-5-[[[5-[2-chloranyl-3-[2-chloranyl-3-[6-methoxy-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-pyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one, GLYCEROL, Programmed cell death 1 ligand 1 | | Authors: | Golebiowska-Mendroch, K, Slota, A, Plewka, J, Magiera-Mularz, K. | | Deposit date: | 2025-01-15 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Characterization of Clinically Evaluated Small-Molecule Inhibitors of PD-L1 for Immunotherapy
Acs Med.Chem.Lett., 2025
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9IJT
 | | Crystal Structure of human Programmed cell death 1 ligand 1 (PD-L1) bound to Small molecule inhibitor Compound-10 | | Descriptor: | (2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1 | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Sadhu, N, Gosu, R, Rajagopal, S. | | Deposit date: | 2024-06-25 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of human Programmed cell death 1 ligand 1 (PD-L1) bound to Small molecule inhibitor Compound-20
To Be Published
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9E6Y
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9FWW
 | | Human NKp30 in complex with a VHH variant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Natural cytotoxicity triggering receptor 3, VHH, ... | | Authors: | Musil, D, Freire, F. | | Deposit date: | 2024-07-01 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
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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: | 2024-10-16 | | 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
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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: | 2024-10-23 | | 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
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8U31
 | | Crystal structure of PD-1 in complex with a Fab | | Descriptor: | Fab heavy chain, Fab light chain, GLYCEROL, ... | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2023-09-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.73 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
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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 | | Last modified: | 2024-11-13 | | 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
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8U0Y
 | | Bacterial protein cpx | | Descriptor: | Fluorescent protein, PHYCOUROBILIN, Receptor A, ... | | Authors: | Gully, B.S, Rossjohn, J. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bacterial protein cpx
To Be Published
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3ZHK
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7RPP
 | | Crystal structure of human CEACAM1 with GFCC' and ABED face | | Descriptor: | 1,2-ETHANEDIOL, Carcinoembryonic antigen-related cell adhesion molecule 1 | | Authors: | Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Petsko, G.A, Blumberg, R.S. | | Deposit date: | 2021-08-04 | | Release date: | 2022-08-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of human CEACAM1 oligomerization.
Commun Biol, 5, 2022
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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
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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: | 2024-10-16 | | 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
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7SJQ
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