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4Y19
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BU of 4y19 by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
Authors:Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
4WZ8
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BU of 4wz8 by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
Descriptor: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-18
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
Descriptor: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-17
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
6Z9V
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BU of 6z9v by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Rizkallah, P.J, Man, S, Redman, J.E.
Deposit date:2020-06-04
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
6Z9X
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BU of 6z9x by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT
Descriptor: Beta-2-microglobulin, LEU-LEU-SER-TUR-PHE-GLY-THR-PRO-THR, MHC class I antigen, ...
Authors:Rizkallah, P.J, Man, S, Redman, J.E.
Deposit date:2020-06-04
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
6Z9W
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BU of 6z9w by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV
Descriptor: Beta-2-microglobulin, LEU-LEU-GLY-TRP-VAL-PHE-ALA-GLN-VAL, MHC class I antigen
Authors:Rizkallah, P.J, Man, S, Redman, J.E.
Deposit date:2020-06-04
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
Descriptor: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4H1J
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BU of 4h1j by Molmil
Crystal structure of PYK2 with the pyrazole 13a
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5JQ1
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BU of 5jq1 by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
7T2D
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BU of 7t2d by Molmil
Crystal structure of the B1 TCR in complex with HLA-DP4-Ply
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7T2C
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BU of 7t2c by Molmil
Crystal structure of the B5 TCR in complex with HLA-DP4-Ply
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7T2B
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BU of 7t2b by Molmil
Crystal structure of the 5F TCR in complex with HLA-DP4-Ply
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7T2A
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BU of 7t2a by Molmil
Crystal structure of HLA-DP4 in complex with Ply
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
Descriptor: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Liu, S.
Deposit date:2015-08-31
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
5EO0
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BU of 5eo0 by Molmil
Crystal Structure of HLA-B0702-RFL9
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Josephs, T.M, Gras, S, Rossjohn, J.
Deposit date:2015-11-10
Release date:2016-02-24
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection.
J Immunol., 196, 2016
5EO1
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BU of 5eo1 by Molmil
Crystal Structure of HLA-B0702-RL9
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Josephs, T.M, Gras, S, Rossjohn, J.
Deposit date:2015-11-10
Release date:2016-02-24
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection.
J Immunol., 196, 2016
5T6Z
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BU of 5t6z by Molmil
KIR3DL1 in complex with HLA-B*57:01-TW10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Decapeptide: THR-SER-THR-LEU-GLN-GLU-GLN-ILE-GLY-TRP, ...
Authors:Pymm, P, Rossjohn, J, Vivian, J.P.
Deposit date:2016-09-02
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
5T6Y
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BU of 5t6y by Molmil
HLA-B*57:01 presenting TSTFEDVKILAF
Descriptor: ACETATE ION, Beta-2-microglobulin, Decapeptide: THR-SER-THR-PHE-GLU-ASP-VAL-LYS-ILE-LEU-ALA-PHE, ...
Authors:Pymm, P, Rossjohn, J, Vivian, J.P.
Deposit date:2016-09-02
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
5T70
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BU of 5t70 by Molmil
KIR3DL1 in complex with HLA-B*57:01 presenting TSNLQEQIGW
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Decapeptide: THR-SER-ASN-LEU-GLN-GLU-GLN-ILE-GLY-TRP, ...
Authors:Pymm, P, Rossjohn, J, Vivian, J.P.
Deposit date:2016-09-02
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
3UTT
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BU of 3utt by Molmil
1E6-A*0201-ALWGPDPAAA Complex, Triclinic
Descriptor: 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M, Rossjohn, J, Gras, S.
Deposit date:2011-11-26
Release date:2012-01-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3VH8
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BU of 3vh8 by Molmil
KIR3DL1 in complex with HLA-B*5701
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Rossjohn, J.
Deposit date:2011-08-24
Release date:2011-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Killer cell immunoglobulin-like receptor 3DL1-mediated recognition of human leukocyte antigen B
Nature, 479, 2011
4JKW
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BU of 4jkw by Molmil
Structure of the extracellular domain of butyrophilin BTN3A1 in complex with Isopentenyl pyrophosphate (IPP)
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Butyrophilin subfamily 3 member A1
Authors:Kumar, A, Mori, L, De Libero, G.
Deposit date:2013-03-12
Release date:2013-07-24
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Butyrophilin 3A1 binds phosphorylated antigens and stimulates human gamma delta T cells.
Nat.Immunol., 14, 2013
3UTP
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BU of 3utp by Molmil
1E6 TCR specific for HLA-A*0201-ALWGPDPAAA
Descriptor: 1E6 TCR alpha chain, 1E6 TCR beta chain, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M.
Deposit date:2011-11-26
Release date:2012-01-25
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3WUW
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BU of 3wuw by Molmil
KIR3DL1 in complex with HLA-B*57:01.I80T
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Rossjohn, J.
Deposit date:2014-05-06
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational and structural analysis of KIR3DL1 reveals a lineage-defining allotypic dimorphism that impacts both HLA and peptide sensitivity
J.Immunol., 192, 2014

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