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6UKW
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BU of 6ukw by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10
分子名称: 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
4QRR
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BU of 4qrr by Molmil
Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Gras, S, Chabrol, E, Rossjohn, J.
登録日2014-07-02
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
6MWR
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BU of 6mwr by Molmil
Recognition of MHC-like molecule
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Le Nours, J, Rossjohn, J.
登録日2018-10-30
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
7KNE
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BU of 7kne by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-16
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KNI
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BU of 7kni by Molmil
Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-16
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KNB
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BU of 7knb by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-09
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KMB
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BU of 7kmb by Molmil
ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-02
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KNH
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BU of 7knh by Molmil
Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-16
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KMS
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BU of 7kms by Molmil
Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-03
公開日2020-12-09
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KMZ
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BU of 7kmz by Molmil
Cryo-EM structure of double ACE2-bound SARS-CoV-2 trimer Spike at pH 7.4
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-03
公開日2020-12-09
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6WNH
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BU of 6wnh by Molmil
Menin bound to inhibitor M-808
分子名称: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate
著者Stuckey, J.A.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
6U3N
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BU of 6u3n by Molmil
LS2.8/3.15 - DQ2-P.fluor-alpha1a complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ...
著者Petersen, J, Rossjohn, J.
登録日2019-08-22
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
6U3O
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BU of 6u3o by Molmil
JR51 DQ2-p.aeru-alpha2a complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ...
著者Petersen, J, Rossjohn, J.
登録日2019-08-22
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.743 Å)
主引用文献T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
6U3M
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DQ2-P.fluor-alpha1a
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, Alpha1a peptide, ...
著者Petersen, J, Rossjohn, J.
登録日2019-08-22
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
8G9W
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BU of 8g9w by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9Y
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BU of 8g9y by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9X
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BU of 8g9x by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
4Y19
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BU of 4y19 by Molmil
immune complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
著者Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2015-02-07
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
4QRP
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BU of 4qrp by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR
分子名称: Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta 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2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
4QRQ
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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
4WWO
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BU of 4wwo by Molmil
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
8GAS
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BU of 8gas by Molmil
vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-23
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G85
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vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
5D7J
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BU of 5d7j by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Woolley, R.E, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
分子名称: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2015-10-21
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016

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