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2JXO
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BU of 2jxo by Molmil
Structure of the second PDZ domain of NHERF-1
分子名称: Ezrin-radixin-moesin-binding phosphoprotein 50
著者Cheng, H, Li, J, Dai, Z, Bu, Z, Roder, H.
登録日2007-11-27
公開日2008-12-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Autoinhibitory Interactions between the PDZ2 and C-terminal Domains in the Scaffolding Protein NHERF1
Structure, 17, 2009
2J8J
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BU of 2j8j by Molmil
Solution Structure of the A4 Domain of Blood Coagulation Factor XI
分子名称: COAGULATION FACTOR XI
著者Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H.
登録日2006-10-25
公開日2007-10-02
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
2KRG
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BU of 2krg by Molmil
Solution Structure of human sodium/ hydrogen exchange regulatory factor 1(150-358)
分子名称: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Bhattacharya, S, Dai, Z, Li, J, Baxter, S, Callaway, D.J.E, Cowburn, D, Bu, Z.
登録日2009-12-17
公開日2009-12-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation.
J.Biol.Chem., 285, 2010
2J8L
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BU of 2j8l by Molmil
FXI Apple 4 domain loop-out conformation
分子名称: COAGULATION FACTOR XI
著者Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H.
登録日2006-10-25
公開日2007-10-02
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
2KJD
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BU of 2kjd by Molmil
Solution structure of extended PDZ2 domain from NHERF1 (150-270)
分子名称: Sodium/hydrogen exchange regulatory cofactor NHE-RF1
著者Bhattacharya, S, Cowburn, D, Bu, Z.
登録日2009-05-27
公開日2009-12-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A dynamic intramolecular conformational switch autoregulates the scaffolding protein NHERF1
To be Published
2M0V
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BU of 2m0v by Molmil
Complex structure of C-terminal CFTR peptide and extended PDZ2 domain from NHERF1
分子名称: C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z.
登録日2012-11-06
公開日2013-04-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
2M0T
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BU of 2m0t by Molmil
Structural characterization of the extended PDZ1 domain from NHERF1
分子名称: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z.
登録日2012-11-06
公開日2013-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
2M0U
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BU of 2m0u by Molmil
Complex structure of C-terminal CFTR peptide and extended PDZ1 domain from NHERF1
分子名称: C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z.
登録日2012-11-06
公開日2013-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
4PL6
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BU of 4pl6 by Molmil
Structure of the chromodomain of MRG2 in complex with H3K4me3
分子名称: At1g02740, H3K4me3
著者Liu, Y.C, Huang, Y.
登録日2014-05-16
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
4PLI
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BU of 4pli by Molmil
Structure of the chromodomain of MRG2 in complex with H3K36me3
分子名称: At1g02740, H3K36me3
著者Liu, Y, Huang, Y.
登録日2014-05-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
4PLL
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BU of 4pll by Molmil
Structure of the chromodaomain of MRG2 in complex with H3K36me3
分子名称: At1g02740, H3K36me3
著者Liu, Y, Huang, Y.
登録日2014-05-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
2AF5
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BU of 2af5 by Molmil
2.5A X-ray Structure of Engineered OspA protein
分子名称: Engineered Outer Surface Protein A (OspA) with the inserted two beta-hairpins
著者Makabe, K, Mcelheny, D, Tereshko, V, Hilyard, A, Koide, A, Koide, S.
登録日2005-07-25
公開日2006-08-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic structures of peptide self-assembly mimics.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7CBT
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BU of 7cbt by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Shi, Y, Peng, G.
登録日2020-06-13
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
分子名称: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
6L2T
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BU of 6l2t by Molmil
African swine fever virus major capsid protein p72
分子名称: B646L,Major capsid protein
著者Wang, N, Rao, Z, Wang, X.
登録日2019-10-06
公開日2020-03-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Architecture of African swine fever virus and implications for viral assembly.
Science, 366, 2019
7WGX
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BU of 7wgx by Molmil
SARS-CoV-2 spike glycoprotein trimer in closed state after treatment with Cathepsin L
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, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ...
著者Zhu, Y, Tai, L, Yin, G, Sun, F.
登録日2021-12-29
公開日2023-01-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies
Cell Discov, 8, 2022
7WGZ
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BU of 7wgz by Molmil
SARS-CoV-2 spike glycoprotein trimer in open state
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Zhu, Y, Tai, L, Yin, G, Sun, F.
登録日2021-12-29
公開日2023-01-04
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies
Cell Discov, 8, 2022
7WGY
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BU of 7wgy by Molmil
SARS-CoV-2 spike glycoprotein trimer in Intermediate state
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Zhu, Y, Tai, L, Yin, G, Sun, F.
登録日2021-12-29
公開日2023-01-04
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies
Cell Discov, 8, 2022
7WGV
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BU of 7wgv by Molmil
SARS-CoV-2 spike glycoprotein trimer in closed state
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, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ...
著者Zhu, Y, Tai, L, Yin, G, Sun, F.
登録日2021-12-29
公開日2023-01-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies
Cell Discov, 8, 2022

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