7M72
| MHC-like protein complex structure | Descriptor: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-10 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Host immunomodulatory lipids created by symbionts from dietary amino acids. Nature, 600, 2021
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7M3Z
| Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35) | Descriptor: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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7M3Y
| Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22) | Descriptor: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, Hepatitis A virus cellular receptor 2 | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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7M41
| Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38) | Descriptor: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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7E9B
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7NLD
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1 | Authors: | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | Deposit date: | 2021-02-22 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7LLI
| Stimulatory immune receptor protein complex | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | Deposit date: | 2021-02-04 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
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7NDT
| UL40:01 TCR in complex with HLA-E with a non-natural amino acid | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7NDU
| Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid | Descriptor: | Beta-2-microglobulin, Gag6V(276-284 H4C), HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7NDQ
| Gag:02 TCR in complex with HLA-E. | Descriptor: | Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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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: | 2024-10-16 | 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: | 2024-10-16 | 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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7DTD
| Voltage-gated sodium channel Nav1.1 and beta4 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 1 subunit alpha, ... | Authors: | Yan, N, Pan, X, Li, Z, Huang, G. | Deposit date: | 2021-01-04 | Release date: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Comparative structural analysis of human Na v 1.1 and Na v 1.5 reveals mutational hotspots for sodium channelopathies. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DPZ
| Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR | Descriptor: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | Deposit date: | 2020-12-22 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DQ1
| Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature | Descriptor: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | Deposit date: | 2020-12-22 | Release date: | 2021-05-05 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7BEA
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | Descriptor: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A. | Deposit date: | 2020-12-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists. Acs Med.Chem.Lett., 12, 2021
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7B0B
| Fab HbnC3t1p1_C6 bound to SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, IGK@ protein, ... | Authors: | Borenstein-Katz, A, Diskin, R. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Somatic hypermutation introduces bystander mutations that prepare SARS-CoV-2 antibodies for emerging variants. Immunity, 56, 2023
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7KQL
| Anti-Tim3 antibody Fab complex | Descriptor: | GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ... | Authors: | Deng, X.A, West, S.M, Strop, P. | Deposit date: | 2020-11-16 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Tim-3 mediates T cell trogocytosis to limit antitumor immunity. J.Clin.Invest., 132, 2022
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7KPG
| Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | Descriptor: | Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ... | Authors: | Sim, J, Pons, J. | Deposit date: | 2020-11-11 | Release date: | 2020-12-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity. J Hematol Oncol, 13, 2020
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7AW6
| The extracellular region of CD33 with bound sialoside analogue P22 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | Authors: | Bradshaw, W.J, Katis, V.L, Thompson, A.P, Arrowsmith, C.H, Edwards, A.M, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2020-11-06 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The extracellular region of CD33 with bound sialoside analogue P22 To Be Published
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7DF1
| Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | Deposit date: | 2020-11-06 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice. Nat Biomed Eng, 2022
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7AH1
| L19 diabody fragment from immunocytokine L19-IL2 | Descriptor: | Anti-(ED-B) scFV | Authors: | Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F. | Deposit date: | 2020-09-23 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inference of molecular structure for characterization and improvement of clinical grade immunocytokines. J.Struct.Biol., 213, 2021
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7D3L
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7D3K
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7CZP
| S protein of SARS-CoV-2 in complex bound with P2B-1A1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ... | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | Deposit date: | 2020-09-09 | Release date: | 2021-03-10 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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