7JPU
 
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7R75
 | | Structure of human SHP2 in complex with compound 16 | | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7R7D
 | | Structure of human SHP2 in complex with compound 22 | | Descriptor: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7R7L
 | | Structure of human SHP2 in complex with compound 30 | | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7R7I
 | | Structure of human SHP2 in complex with compound 27 | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7K81
 | | KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2020-09-24 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
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1SNG
 | | Structure of a Thermophilic Serpin in the Native State | | Descriptor: | COG4826: Serine protease inhibitor, SULFATE ION | | Authors: | Fulton, K.F, Buckle, A.M, Cabrita, L.D, Irving, J.A, Butcher, R.E, Smith, I, Reeve, S, Lesk, A.M, Bottomley, S.P, Rossjohn, J, Whisstock, J.C. | | Deposit date: | 2004-03-10 | | Release date: | 2004-12-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The high resolution crystal structure of a native thermostable serpin reveals the complex mechanism underpinning the stressed to relaxed transition.
J.Biol.Chem., 280, 2005
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7K80
 | | KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ... | | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2020-09-24 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
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7L15
 | | Marsupial T cell receptor Spl_118 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, ... | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Praveena, T, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
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7KP1
 | | CD1a-42:2 SM binary complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, T-cell surface glycoprotein CD1a, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
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7KP0
 | | CD1a-42:1 SM binary complex | | Descriptor: | (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
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7KOZ
 | | CD1a-36:2 SM binary complex | | Descriptor: | (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
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6U3O
 | | JR51 DQ2-p.aeru-alpha2a complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | | Authors: | Petersen, J, Rossjohn, J. | | Deposit date: | 2019-08-22 | | Release date: | 2019-12-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.743 Å) | | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
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6U3M
 | | DQ2-P.fluor-alpha1a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha1a peptide, ... | | Authors: | Petersen, J, Rossjohn, J. | | Deposit date: | 2019-08-22 | | Release date: | 2019-12-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
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8SGM
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8SGB
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8FU4
 | | HCMV US11 peptide binding to HLA-A*02:01 | | Descriptor: | Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ... | | Authors: | Watson, G.M, Berry, R, Littler, D.R, Rossjohn, J. | | Deposit date: | 2023-01-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8FRT
 | | X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01 | | Descriptor: | GLYCEROL, Unique short US11 glycoprotein, Beta-2-microglobulin, ... | | Authors: | Watson, G.M, Berry, R, Rossjohn, J. | | Deposit date: | 2023-01-08 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6U3N
 | | LS2.8/3.15 - DQ2-P.fluor-alpha1a complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | | Authors: | Petersen, J, Rossjohn, J. | | Deposit date: | 2019-08-22 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
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6W9U
 | | Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP | | Descriptor: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2020-03-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
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6NIX
 | | Crystal structure of Immune Receptor | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, ... | | Authors: | Ting, Y.T, Reid, H.H, Rossjohn, J. | | Deposit date: | 2019-01-01 | | Release date: | 2020-01-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Immune Receptor
To Be Published
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6W9V
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8TUB
 | | HLA B7:02 with HPNGYKSLSTL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
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8TUH
 | | HLA B7:02 with RPIIRPATL | | Descriptor: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.200106 Å) | | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
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7N6E
 | | TCR peptide HLA-A2 complex | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Spike protein S1, ... | | Authors: | Chaurasia, P, Rossjohn, J, Petersen, J. | | Deposit date: | 2021-06-08 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
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