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8IFQ
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BU of 8ifq by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFR
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BU of 8ifr by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3
分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFT
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BU of 8ift by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10
分子名称: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IGY
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BU of 8igy by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-21
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
5DUP
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BU of 5dup by Molmil
Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03
分子名称: AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin
著者Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
登録日2015-09-20
公開日2015-12-16
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
5DUT
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BU of 5dut by Molmil
Influenza A virus H5 hemagglutinin globular head
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
登録日2015-09-20
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
5DUR
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BU of 5dur by Molmil
Influenza A virus H5 hemagglutinin globular head in complex with antibody 100F4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ...
著者Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
登録日2015-09-20
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
5DUM
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BU of 5dum by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ...
著者Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X.
登録日2015-09-19
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
4ZS6
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BU of 4zs6 by Molmil
Receptor binding domain and Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ...
著者Yu, X, Wang, X.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.166 Å)
主引用文献Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
4XXB
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BU of 4xxb by Molmil
Crystal structure of human MDM2-RPL11
分子名称: 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ...
著者Zheng, J, Chen, Z.
登録日2015-01-30
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
7UAK
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BU of 7uak by Molmil
Structure of recombinantly assembled A53E alpha-synuclein fibrils
分子名称: Alpha-synuclein
著者Zhou, K, Zhou, H.
登録日2022-03-13
公開日2023-03-29
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of amyloid fibril formed by alpha-synuclein hereditary A53E mutation reveals a distinct protofilament interface.
J.Biol.Chem., 299, 2023
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
著者Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
登録日2023-10-16
公開日2024-02-28
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
5JKG
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BU of 5jkg by Molmil
The crystal structure of FGFR4 kinase domain in complex with LY2874455
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, L, Chen, Y.
登録日2016-04-26
公開日2016-10-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455
Plos One, 11, 2016
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
分子名称: Forkhead box protein C2, IRE0, MAGNESIUM ION
著者Li, J, Dai, S.Y.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
分子名称: Forkhead box protein O1, IRE0
著者Li, J, Dai, S.Y, Chen, Y.H.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.067 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
分子名称: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
著者Wei, H, Chen, Y.
登録日2019-12-07
公開日2021-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
7BT5
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BU of 7bt5 by Molmil
Crystal structure of plasmodium LysRS complexing with an antitumor compound
分子名称: LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
著者Zhou, J, Wang, J, Fang, P.
登録日2020-03-31
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020
5H7V
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BU of 5h7v by Molmil
Structure of full-length extracellular domain of HAI-1 at pH 4.6
分子名称: Kunitz-type protease inhibitor 1
著者Liu, M, Huang, M.
登録日2016-11-21
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.82 Å)
主引用文献The crystal structure of a multidomain protease inhibitor (HAI-1) reveals the mechanism of its auto-inhibition
J. Biol. Chem., 292, 2017
6C3F
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BU of 6c3f by Molmil
AMYLOID FORMING PEPTIDE IYKVEI FROM TRANSTHYRETIN
分子名称: ILE-TYR-LYS-VAL-GLU-ILE, trifluoroacetic acid
著者Saelices, L, Sawaya, M.R, Eisenberg, D.S.
登録日2018-01-09
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
6C88
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BU of 6c88 by Molmil
STRUCTURE OF THE AMYLOID FORMING PEPTIDE VAVHVF FROM TRANSTHYRETIN
分子名称: GLYCEROL, VAL-ALA-VAL-HIS-VAL-PHE
著者Saelices, L, Sawaya, M.R, Eisenberg, D.S.
登録日2018-01-24
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
6L8L
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C-Src in complex with ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
著者Guo, M, Dai, S, Chen, L, Chen, Y.
登録日2019-11-06
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.888 Å)
主引用文献Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
6PWS
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BU of 6pws by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of alpha-methyl mannoside
分子名称: CALCIUM ION, Fc fragment of IgE receptor II, methyl alpha-D-mannopyranoside
著者Weis, W.I, Feinberg, H.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
6PWT
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Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc2Man3 oligosaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
著者Weis, W.I, Feinberg, H.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019

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