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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
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
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
8GLG
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BU of 8glg by Molmil
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
6MLC
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BU of 6mlc by Molmil
PHD6 domain of MLL3 in complex with histone H4
分子名称: GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ...
著者Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-09-27
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
3L02
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BU of 3l02 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
分子名称: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-09
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3L04
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BU of 3l04 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
分子名称: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-09
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3L05
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BU of 3l05 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92S mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
分子名称: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-09
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3L06
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BU of 3l06 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92V mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
分子名称: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-09
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
5E0Z
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BU of 5e0z by Molmil
Crystal Structure of PASTA Domains 3 and 4 of Mycobacterium tuberculosis Protein Kinase B
分子名称: Serine/threonine-protein kinase PknB
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
5E0Y
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BU of 5e0y by Molmil
Crystal Structure of PASTA Domain 4 of Mycobacterium tuberculosis Protein Kinase B
分子名称: Serine/threonine-protein kinase PknB, ZINC ION
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
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
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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BU of 7mxh by Molmil
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
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
4X6D
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BU of 4x6d by Molmil
CD1a ternary complex with endogenous lipids and BK6 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, OLEIC ACID, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-12-08
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4X6C
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BU of 4x6c by Molmil
CD1a ternary complex with lysophosphatidylcholine and BK6 TCR
分子名称: (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-12-08
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
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
4X6E
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BU of 4x6e by Molmil
CD1a binary complex with lysophosphatidylcholine
分子名称: (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-12-08
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
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
4X6F
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CD1a binary complex with sphingomyelin
分子名称: (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-12-08
公開日2015-02-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015

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