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6DFX
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BU of 6dfx by Molmil
human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFQ
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BU of 6dfq by Molmil
mouse diabetogenic TCR I.29
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TCR alpha chain, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFV
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BU of 6dfv by Molmil
Mouse diabetogenic TCR 8F10
分子名称: 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFW
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BU of 6dfw by Molmil
TCR 8F10 in complex with IAg7-p8G9E
分子名称: 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFS
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BU of 6dfs by Molmil
mouse TCR I.29 in complex with IAg7-p8E9E6ss
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
7K3G
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BU of 7k3g by Molmil
SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR
分子名称: Envelope small membrane protein
著者Mandala, V.S, Hong, M, McKay, M.J, Shcherbakov, A.S, Dregni, A.J.
登録日2020-09-11
公開日2020-09-30
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers.
Nat.Struct.Mol.Biol., 27, 2020
3IF5
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BU of 3if5 by Molmil
Crystal Structure Analysis of Mglu
分子名称: Salt-tolerant glutaminase
著者Yoshimune, K, Shirakihara, Y.
登録日2009-07-24
公開日2009-08-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris.
Febs J., 277, 2010
6B30
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BU of 6b30 by Molmil
Structure of RORgt in complex with a novel inverse agonist 1
分子名称: N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I.
登録日2017-09-20
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
7X91
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BU of 7x91 by Molmil
The SARS-CoV-2 receptor binding domain bound with an Fv-clasp form of a human neutralizing antibody Ab496
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, An Fv-clasp version of the Ab496 heavy chain, An Fv-clasp version of the Ab496 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8W
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BU of 7x8w by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab354
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab354 heavy chain, Ab354 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Z
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BU of 7x8z by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab188
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab188 heavy chain, Ab188 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Y
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BU of 7x8y by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab159
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab159 heavy chain, Ab159 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X90
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BU of 7x90 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab326
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab326 heavy chain, Ab326 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X92
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BU of 7x92 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab445
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab445 heavy chain, Ab445 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
6B31
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BU of 6b31 by Molmil
Structure of RORgt in complex with a novel inverse agonist 2
分子名称: (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I.
登録日2017-09-20
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Bioorg. Med. Chem., 26, 2018
5V8Q
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BU of 5v8q by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
分子名称: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2017-03-22
公開日2017-05-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
6OVA
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BU of 6ova by Molmil
Crystal Structure of TYK2 with novel pyrrolidinone inhibitor
分子名称: 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J, Hoffman, I.D.
登録日2019-05-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7POI
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BU of 7poi by Molmil
Prodomain bound BMP10 crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID
著者Guo, J, Yu, M, Li, W.
登録日2021-09-09
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPC
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BU of 7ppc by Molmil
Ternary signalling complex of BMP10 bound to ALK1 and BMPRII
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3
著者Guo, J, Yu, M, Read, R.J, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7POJ
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BU of 7poj by Molmil
Prodomain bound BMP10 crystal form 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL
著者Guo, J, Yu, M, Li, W.
登録日2021-09-09
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPB
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BU of 7ppb by Molmil
2.4 angstrom crystal structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2
著者Guo, J, Yu, M, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPA
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BU of 7ppa by Molmil
High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL
著者Guo, J, Yu, M, Read, R.J, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
6MK9
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BU of 6mk9 by Molmil
X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease
著者Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H.
登録日2018-09-25
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
To Be Published

223790

件を2024-08-14に公開中

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