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PDB: 25 件
4OTK
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A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
分子名称: CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971
著者Shahine, A, Beddoe, T.
登録日2014-02-13
公開日2014-05-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Acta Crystallogr.,Sect.F, 70, 2014
4ZY7
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BU of 4zy7 by Molmil
Crystal structure of a Mycobacterial protein
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Uncharacterized protein MSMEG_5817
著者Shahine, A, Rossjohn, J, Beddoe, T.
登録日2015-05-21
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Mycobacterial protein
To Be Published
6OVN
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BU of 6ovn by Molmil
Crystal structure of the unliganded Clone 2 TCR
分子名称: Alpha chain Clone 2 TCR, Beta chain Clone 2 TCR, CHLORIDE ION, ...
著者Shahine, A, Rossjohn, J.
登録日2019-05-08
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins.
J Immunol., 203, 2019
6OVO
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BU of 6ovo by Molmil
Crystal structure of the unliganded PG10 TCR
分子名称: 1,2-ETHANEDIOL, Alpha Chain T-Cell Receptor PG10, Beta Chain T-Cell Receptor PG10, ...
著者Shahine, A, Rossjohn, J.
登録日2019-05-08
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins.
J Immunol., 203, 2019
8SOS
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BU of 8sos by Molmil
Human CD1d presenting sphingomyelin C24:1 in complex with VHH nanobody 1D17
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ...
著者Shahine, A, Rossjohn, J.
登録日2023-04-29
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Enhanced CD1d phosphatidylserine presentation using a single-domain antibody promotes immunomodulatory CD1d-TIM-3 interactions.
J Immunother Cancer, 11, 2023
8GLF
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BU of 8glf by Molmil
Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLE
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BU of 8gle by Molmil
Crystal Structure of Human CD1b in Complex with Lysosulfatide
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLG
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Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1
分子名称: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
6V80
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Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
著者Shahine, A, Rossjohn, J.
登録日2019-12-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
6V7Z
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Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
著者Shahine, A, Rossjohn, J.
登録日2019-12-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
6V7Y
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BU of 6v7y by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
著者Shahine, A, Rossjohn, J.
登録日2019-12-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
5WJO
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BU of 5wjo by Molmil
Crystal structure of the unliganded PG90 TCR
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-24
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WKG
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BU of 5wkg by Molmil
Crystal Structure of Human CD1b in Complex with PA
分子名称: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WL1
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Crystal Structure of Human CD1b in Complex with PG
分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WKE
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BU of 5wke by Molmil
Crystal Structure of Human CD1b in Complex with PS
分子名称: (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WKI
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BU of 5wki by Molmil
Crystal structure of PG90 TCR-CD1b-PG complex
分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
8DV3
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BU of 8dv3 by Molmil
Crystal structure of human CD1b presenting Phosphatidylinositol C34:1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Farquhar, R, Rossjohn, J, Shahine, A.
登録日2022-07-28
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
8DV4
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BU of 8dv4 by Molmil
Crystal structure of the BC8B TCR-CD1b-PI complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Farquhar, R, Rossjohn, J, Shahine, A.
登録日2022-07-28
公開日2023-04-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
8GLH
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BU of 8glh by Molmil
Crystal Structure of Human CD1b in Complex with Endogenous PC C40:5
分子名称: (11E)-hexadec-11-enoic acid, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Farquhar, R, Rossjohn, J, Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
5L2J
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BU of 5l2j by Molmil
Crystal Structure of human CD1b in complex with C36-GMM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose, ACETATE ION, ...
著者Gras, S, Shahine, A, Le Nours, J, Rossjohn, J.
登録日2016-08-02
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献T cell receptor recognition of CD1b presenting a mycobacterial glycolipid.
Nat Commun, 7, 2016
5L2K
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BU of 5l2k by Molmil
Crystal structure of GEM42 TCR-CD1b-GMM complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose, Beta-2-microglobulin, ...
著者Gras, S, Shahine, A, Le Nours, J, Rossjohn, J.
登録日2016-08-02
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献T cell receptor recognition of CD1b presenting a mycobacterial glycolipid.
Nat Commun, 7, 2016
8GLI
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BU of 8gli by Molmil
Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose, Beta-2-microglobulin, ...
著者Balaji, G, Rossjohn, J, Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
7MX4
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BU of 7mx4 by Molmil
CD1c with antigen analogue 1
分子名称: (2S)-2,3-dihydroxypropyl hexadecanoate, (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cao, T.P, Shahine, A, Rossjohn, J.
登録日2021-05-18
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
7MXF
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BU of 7mxf by Molmil
CD1c with antigen analogue 2
分子名称: (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cao, T.P, Shahine, A, Rossjohn, J.
登録日2021-05-19
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
7MXH
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CD1c with antigen analogue 3
分子名称: (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cao, T.P, Shahine, A, Rossjohn, J.
登録日2021-05-19
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021

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