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5WBR
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BU of 5wbr by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBQ
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BU of 5wbq by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBO
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BU of 5wbo by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBZ
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BU of 5wbz by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WKF
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BU of 5wkf by Molmil
D30 TCR in complex with HLA-A*11:01-GTS1
Descriptor: Beta-2-microglobulin, D30 TCR beta chain, GTS1 peptide, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-25
Release date:2017-09-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
5WJN
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BU of 5wjn by Molmil
Crystal Structure of HLA-A*11:01-GTS3
Descriptor: Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-23
Release date:2017-09-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
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
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:2024-07-10
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
5WLI
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BU of 5wli by Molmil
Crystal Structure of H-2Db with the GAP501 peptide (SQL)
Descriptor: Beta-2-microglobulin, GAP50 peptide, H-2 class I histocompatibility antigen, ...
Authors:Gras, S, Farenc, C, Josephs, T, Rossjohn, J.
Deposit date:2017-07-27
Release date:2017-11-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene.
Immunity, 47, 2017
5WLG
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BU of 5wlg by Molmil
Crystal Structure of H-2Db with the GAP501 peptide (SQL)
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GAP50 peptide, ...
Authors:Gras, S, Farenc, C, Josephs, T, Rossjohn, J.
Deposit date:2017-07-26
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene.
Immunity, 47, 2017
5WJL
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BU of 5wjl by Molmil
Crystal Structure of HLA-A*11:01 with GTS1 peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-23
Release date:2017-09-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
9CYL
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BU of 9cyl by Molmil
Structure of LAG3 loop1 deletion bound to the MHC class II molecule I-A(b)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Class-II-associated invariant chain peptide, H-2 class II histocompatibility antigen, ...
Authors:Ming, Q, Tran, T.H, Antfolk, D, Luca, V.C.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (4.66 Å)
Cite:Structural basis for mouse LAG3 interactions with the MHC class II molecule I-A b.
Nat Commun, 15, 2024
9CYM
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BU of 9cym by Molmil
Structure of LAG3 bound to the MHC class II molecule I-A(b)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Class-II-associated invariant chain peptide, H-2 class II histocompatibility antigen, ...
Authors:Ming, Q, Antfolk, D, Tran, T.H, Luca, V.C.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Structural basis for mouse LAG3 interactions with the MHC class II molecule I-A b.
Nat Commun, 15, 2024
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
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
3UTS
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BU of 3uts by Molmil
1E6-A*0201-ALWGPDPAAA Complex, Monoclinic
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.
Deposit date:2011-11-26
Release date:2012-01-25
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3UTQ
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BU of 3utq by Molmil
Human HLA-A*0201-ALWGPDPAAA
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
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 (1.67 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
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
7S15
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BU of 7s15 by Molmil
GLP-1 receptor bound with Pfizer small molecule agonist
Descriptor: 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor
Authors:Liu, Y, Dias, J.M, Han, S.
Deposit date:2021-09-01
Release date:2022-06-08
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor.
J.Med.Chem., 65, 2022
5HHO
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BU of 5hho by Molmil
Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-G4E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HHN
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BU of 5hhn by Molmil
Crystal Structure of HLA-A*0201 in complex with M1-F5L
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016

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PDB entries from 2024-10-09

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