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7DPG
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BU of 7dpg by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle
分子名称: VP2, VP3, Virion protein 1
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q, Xia, N.
登録日2020-12-18
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DQ1
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BU of 7dq1 by Molmil
Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature
分子名称: Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
5ZFW
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BU of 5zfw by Molmil
Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5ZFY
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BU of 5zfy by Molmil
Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5Z6Z
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BU of 5z6z by Molmil
Crystal structure of human DUX4 homeodomains bound to DNA
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-01-26
公開日2018-10-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
4I9I
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BU of 4i9i by Molmil
Crystal structure of tankyrase 1 with compound 4
分子名称: N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2012-12-05
公開日2013-02-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
J.Med.Chem., 56, 2013
3BYU
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BU of 3byu by Molmil
co-crystal structure of Lck and aminopyrimidine reverse amide 23
分子名称: 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
7FJ1
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BU of 7fj1 by Molmil
Cryo-EM structure of pseudorabies virus C-capsid
分子名称: Capsid vertex component 1, DNA packaging tegument protein UL25, Major capsid protein, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7FJ3
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BU of 7fj3 by Molmil
Cryo-EM structure of PRV A-capid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
8TR3
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BU of 8tr3 by Molmil
Cryo-EM structure of HmAb64 scFv in complex with CNE40 SOSIP 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, CNE40 SOSIP Envelope glycoprotein gp120, ...
著者Chan, K.-W, Kong, X.P.
登録日2023-08-09
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Human CD4-binding site antibody elicited by polyvalent DNA prime-protein boost vaccine neutralizes cross-clade tier-2-HIV strains.
Nat Commun, 15, 2024
5XUO
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BU of 5xuo by Molmil
Pks13 AT domain fragment from Mycobacterium tuberculosis
分子名称: Polyketide synthase Pks13
著者Yu, M.J, Gu, Y.J, Dou, C, Cheng, W.
登録日2017-06-24
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystallization and structure analysis of the core motif of the Pks13 acyltransferase domain fromMycobacterium tuberculosis
PeerJ, 6, 2018
7D39
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BU of 7d39 by Molmil
FLR-apo
分子名称: Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D38
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BU of 7d38 by Molmil
flavone reductase
分子名称: Cd1, FLAVIN MONONUCLEOTIDE, chrysin
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3B
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BU of 7d3b by Molmil
flavone reductase
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3A
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BU of 7d3a by Molmil
flavone reductase
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
3RKD
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BU of 3rkd by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody
分子名称: Capsid protein, Monoclonal Antibody, Heavy Chain, ...
著者Tang, X.H, Sivaraman, J.
登録日2011-04-18
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the neutralization and genotype specificity of hepatitis E virus
Proc.Natl.Acad.Sci.USA, 108, 2011
3RKC
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BU of 3rkc by Molmil
Hepatitis E Virus Capsid Protein E2s Domain (genotype IV)
分子名称: Capsid protein
著者Tang, X.H, Sivaraman, J.
登録日2011-04-18
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural basis for the neutralization and genotype specificity of hepatitis E virus
Proc.Natl.Acad.Sci.USA, 108, 2011
3TJC
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BU of 3tjc by Molmil
Co-crystal structure of jak2 with thienopyridine 8
分子名称: 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Huang, X.
登録日2011-08-24
公開日2011-11-30
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
3TJD
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BU of 3tjd by Molmil
co-crystal structure of Jak2 with thienopyridine 19
分子名称: 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Huang, X.
登録日2011-08-24
公開日2011-11-30
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2OFV
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BU of 2ofv by Molmil
crystal structure of aminoquinazoline 1 bound to Lck
分子名称: 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-04
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
3B8R
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BU of 3b8r by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
分子名称: 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
登録日2007-11-01
公開日2008-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors
J.Med.Chem., 51, 2008
2OO8
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BU of 2oo8 by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
分子名称: Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
著者Bellon, S.F, Kim, J.
登録日2007-01-25
公開日2007-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2OG8
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BU of 2og8 by Molmil
crystal structure of aminoquinazoline 36 bound to Lck
分子名称: N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-05
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
3B8Q
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BU of 3b8q by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
分子名称: N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
登録日2007-11-01
公開日2008-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation
J.Med.Chem., 51, 2008

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