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4QRQ
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BU of 4qrq by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
著者Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
登録日2014-07-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
4NQE
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BU of 4nqe by Molmil
Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2013-11-25
公開日2014-04-16
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
3TO4
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BU of 3to4 by Molmil
Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide
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 CD1d1, ...
著者Patel, O, Rossjohn, J.
登録日2011-09-04
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen.
Proc.Natl.Acad.Sci.USA, 108, 2011
4NQC
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BU of 4nqc by Molmil
Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2013-11-25
公開日2014-04-16
最終更新日2014-11-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
2NW3
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BU of 2nw3 by Molmil
Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A
分子名称: Beta-2-microglobulin, EBV peptide EPLPQGQLTAY, HLA class I histocompatibility antigen, ...
著者Tynan, F.E, Reid, H.H, Rossjohn, J.
登録日2006-11-14
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
2NW2
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BU of 2nw2 by Molmil
Crystal structure of ELS4 TCR at 1.4A
分子名称: ELS4 TCR alpha chain, ELS4 TCR beta chain
著者Tynan, F.E, Reid, H.H, Rossjohn, J.
登録日2006-11-14
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAO
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Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAN
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BU of 7oan by Molmil
Nanobody C5 bound to Spike
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, Spike glycoprotein, ...
著者Naismith, J.H, Weckener, M.
登録日2021-04-19
公開日2021-08-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
2NX5
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BU of 2nx5 by Molmil
Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A
分子名称: Beta-2-microglobulin, EBV peptide, EPLPQGQLTAY, ...
著者Tynan, F.E, Reid, H.H, Rossjohn, J.
登録日2006-11-16
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
5U39
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BU of 5u39 by Molmil
Pseudomonas aeruginosa LpxC in complex with CHIR-090
分子名称: N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
5U3B
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BU of 5u3b by Molmil
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
3AXL
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BU of 3axl by Molmil
Murine Valpha 10 Vbeta 8.1 T-cell receptor
分子名称: Valpha 10, Vbeta 8.1
著者Patel, O, Rossjohn, J.
登録日2011-04-11
公開日2011-08-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
5FPA
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BU of 5fpa by Molmil
Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one
分子名称: 3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP4
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BU of 5fp4 by Molmil
Crystal structure of human KDM4D in complex with 3-(4- phenylbutanamido)pyridine-4-carboxylic acid
分子名称: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP9
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Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid
分子名称: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP3
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Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases
分子名称: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, BICINE, COBALT (II) ION, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPB
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BU of 5fpb by Molmil
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
分子名称: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
6ZH9
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Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
分子名称: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
著者Naismith, J.H, Mikolajek, H, Le Bas, A.
登録日2020-06-21
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
分子名称: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
登録日2014-01-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
5FP8
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Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- ylmethylaminopyridine-4-carboxylic acid
分子名称: 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP7
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BU of 5fp7 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
分子名称: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.
J. Med. Chem., 59, 2016

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