7ELX
 
 | | The crystal structure of CTLA-4 and Fab | | Descriptor: | Cytotoxic T-lymphocyte protein 4, heavy chain of Fab, light chain of Fab | | Authors: | Yu, X.J, Wang, L, Yu, C.F. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The crystal structure of CTLA-4 and Fab
To Be Published
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7E9B
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7DY7
 | | Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation | | Descriptor: | 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. | | Deposit date: | 2021-01-20 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
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7DV4
 | | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | | Authors: | Li, H, Gan, X, He, Y. | | Deposit date: | 2021-01-12 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4F8T
 | | Crystal Structure of the Human BTN3A3 Ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A3 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-17 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.382 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F9L
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-18 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1404 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F80
 | | Crystal Structure of the human BTN3A1 ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-16 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F9P
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody | | Descriptor: | 103.2 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-19 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.519 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F8Q
 | | Crystal Structure of the Human BTN3A2 Ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A2 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-17 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3789 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4GOS
 | | Crystal structure of human B7-H4 IgV-like domain | | Descriptor: | V-set domain-containing T-cell activation inhibitor 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Vigdorovich, V, Ramagopal, U, Bhosle, R, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-08-20 | | Release date: | 2012-09-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure and cancer immunotherapy of the B7 family member B7x.
Cell Rep, 9, 2014
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4H5S
 | | Complex structure of Necl-2 and CRTAM | | Descriptor: | Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule | | Authors: | Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F. | | Deposit date: | 2012-09-18 | | Release date: | 2013-08-07 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2.
Structure, 21, 2013
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4HZA
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4JGJ
 | | Crystal structure of the Ig-like D1 domain from mouse Carcinoembryogenic antigen-related cell adhesion molecule 15 (CEACAM15) [PSI-NYSGRC-005691] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 15, Unknown peptide | | Authors: | Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-03-01 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6508 Å) | | Cite: | Crystal structure of the Ig-like D1 domain of CEACAM15 from Mus musculus [NYSGRC-005691]
to be published
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4JKW
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4JJH
 | | Crystal structure of the D1 domain from human Nectin-4 extracellular fragment [PSI-NYSGRC-005624] | | Descriptor: | 1,2-ETHANEDIOL, Poliovirus receptor-related protein 4 | | Authors: | Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-03-07 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the D1 domain of human Nectin-4 extracellular fragment [NYSGRC-005624]
to be published
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4K07
 | | Crystal structure of the amyloid-forming immunoglobulin AL-103 cis-proline 95 mutant | | Descriptor: | Amyloidogenic immunoglobulin light chain protein AL-103, SULFATE ION | | Authors: | Thompson, J.R, Berkholz, D.S, Mahlum, E.W, Ramirez-Alvarado, M. | | Deposit date: | 2013-04-03 | | Release date: | 2013-10-30 | | Last modified: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Kinetic control in protein folding for light chain amyloidosis and the differential effects of somatic mutations.
J.Mol.Biol., 426, 2014
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4KKN
 | | Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704 | | Descriptor: | Cytotoxic T-lymphocyte associated protein 4, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Bonanno, J, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Scott Glenn, A, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-05-06 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704
to be published
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4K55
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7VUN
 | | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
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6D48
 | | Cell Surface Receptor | | Descriptor: | Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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6D49
 | | Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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7WVM
 | | The complex structure of PD-1 and cemiplimab | | Descriptor: | Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1 | | Authors: | Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y. | | Deposit date: | 2022-02-10 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy.
Front Immunol, 13, 2022
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6D4A
 | | Cell Surface Receptor with Bound Ligand at 1.75-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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7WSL
 | | PD-1 in complex with Dostarlimab | | Descriptor: | Programmed cell death protein 1, heavy chain, light chain | | Authors: | Heo, Y.S. | | Deposit date: | 2022-01-30 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.534 Å) | | Cite: | Molecular basis of PD-1 blockade by dostarlimab, the FDA-approved antibody for cancer immunotherapy.
Biochem.Biophys.Res.Commun., 599, 2022
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6DHB
 | | Crystal structure of the human TIM-3 with bound Calcium | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, CALCIUM ION, ... | | Authors: | Gandhi, A.K, Kim, W.M, Huang, Y.H, Bonsor, D, Sundberg, E, Sun, Z.-Y, Petsko, G.A, Kuchroo, V, Blumberg, R.S. | | Deposit date: | 2018-05-19 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High resolution X-ray and NMR structural study of human T-cell immunoglobulin and mucin domain containing protein-3.
Sci Rep, 8, 2018
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