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4LKK
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The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKG
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The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LG8
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Crystal structure of PRPF19 WD40 repeats
分子名称: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-06-27
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
4FZX
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Exonuclease X in complex with 3' overhanging duplex DNA
分子名称: DNA (5'-D(P*CP*GP*GP*AP*TP*CP*CP*AP*CP*AP*AP*TP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, ...
著者Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
登録日2012-07-08
公開日2013-07-03
最終更新日2013-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
4Q9V
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BU of 4q9v by Molmil
Crystal structure of TIPE3
分子名称: CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3
著者Wu, J, Zhang, X, Chen, Y.H, Shi, Y.
登録日2014-05-02
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer.
Cancer Cell, 26, 2014
7XEY
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EDS1-PAD4 complexed with pRib-ADP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-beta-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Huang, S, Jia, A, Xiao, Y.
登録日2022-03-31
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
7YE9
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SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
6V8Y
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Structure of a Sodium Potassium ion Channel
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Roy, R, Weiss, K.L, Coates, L.
登録日2019-12-12
公開日2021-04-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural plasticity of the selectivity filter in a nonselective ion channel.
Iucrj, 8, 2021
7YC9
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Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6LRI
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Human cGAS catalytic domain bound with compound 17
分子名称: 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRE
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BU of 6lre by Molmil
Human cGAS catalytic domain bound with compound 3
分子名称: 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRK
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BU of 6lrk by Molmil
Human cGAS catalytic domain bound with compound 40
分子名称: (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
7YDY
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BU of 7ydy by Molmil
SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-04
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YEG
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SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2
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Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YDI
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SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-04
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
6UZK
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BU of 6uzk by Molmil
Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi6
分子名称: 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Gingras, A.R.
登録日2019-11-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.924 Å)
主引用文献Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells.
Faseb Bioadv, 3, 2021
7YE5
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SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (6.75 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
6LRJ
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Human cGAS catalytic domain bound with compound 23
分子名称: 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRL
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Human cGAS catalytic domain bound with compound s2
分子名称: 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6W9H
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SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6W9I
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SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
3SF5
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BU of 3sf5 by Molmil
Crystal Structure of Helicobacter pylori Urease Accessory Protein UreF/H complex
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Fong, Y.H, Chen, Y.W, Wong, K.B.
登録日2011-06-12
公開日2011-11-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Assembly of preactivation complex for urease maturation in Helicobacter pylori: crystal structure of UreF-UreH protein complex
J.Biol.Chem., 286, 2011
5XXE
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Crystal structure of Poz1 and Tpz1
分子名称: Protection of telomeres protein poz1, Protection of telomeres protein tpz1, SULFATE ION, ...
著者Xue, J, Chen, H, Wu, J, Lei, M.
登録日2017-07-03
公開日2017-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017
5GM5
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Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ...
著者Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-12
公開日2017-05-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
5XXF
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Crystal structure of Poz1, Tpz1 and Rap1
分子名称: Protection of telomeres protein poz1, Protection of telomeres protein tpz1, Rap1, ...
著者Xue, J, Chen, H, Wu, J, Lei, M.
登録日2017-07-03
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017

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