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BU of 8gxr by Molmil

crystal structure of UBC domain of UBE2O
分子名称:	(E3-independent) E2 ubiquitin-conjugating enzyme UBE2O, CITRIC ACID
著者	Fu, Z, Zhu, W, Huang, H.
登録日	2022-09-21
公開日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	crystal structure of UBE2O To Be Published

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BU of 2n9b by Molmil

Solution NMR Structure of Antiparallel Myosin-10:GCN4 Tandem Coiled-Coil
分子名称:	Unconventional myosin-X, General control protein GCN4 fusion
著者	Vavra, K.C, Xia, Y, Rock, R.S.
登録日	2015-11-12
公開日	2016-06-15
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	Competition between Coiled-Coil Structures and the Impact on Myosin-10 Bundle Selection Biophys.J., 110, 2016

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BU of 4mbj by Molmil

Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor
分子名称:	2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者	Voegtli, W.C.
登録日	2013-08-19
公開日	2013-10-02
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (3.6 Å)
主引用文献	Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 6ix4 by Molmil

Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution
分子名称:	ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者	Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C.
登録日	2018-12-09
公開日	2019-12-11
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.511 Å)
主引用文献	Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity. Int.J.Biol.Macromol., 169, 2021

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BU of 8jhg by Molmil

Native SUV420H1 bound to 167-bp nucleosome
分子名称:	DNA (160-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者	Lin, F, Li, W.
登録日	2023-05-23
公開日	2023-11-22
最終更新日	2023-12-20
実験手法	ELECTRON MICROSCOPY (3.58 Å)
主引用文献	Structural basis of nucleosomal H4K20 recognition and methylation by SUV420H1 methyltransferase. Cell Discov, 9, 2023

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BU of 8jhf by Molmil

Native SUV420H1 bound to 167-bp nucleosome
分子名称:	DNA (160-MER), Histone H2A.Z, Histone H2B type 1-K, ...
著者	Lin, F, Li, W.
登録日	2023-05-23
公開日	2023-11-15
最終更新日	2023-12-20
実験手法	ELECTRON MICROSCOPY (3.68 Å)
主引用文献	Structural basis of nucleosomal H4K20 recognition and methylation by SUV420H1 methyltransferase. Cell Discov, 9, 2023

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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

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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

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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

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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

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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

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BU of 7fet by Molmil

SARS-CoV-2 B.1.1.7 Spike Glycoprotein 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, Spike glycoprotein
著者	Wen, Z.L, Zhu, Y, Sun, F.
登録日	2021-07-21
公開日	2021-12-15
実験手法	ELECTRON MICROSCOPY (3.7 Å)
主引用文献	Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021

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BU of 7fem by Molmil

SARS-CoV-2 B.1.1.7 S-ACE2 complex
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	Wen, Z.L, Zhu, Y, Sun, F.
登録日	2021-07-21
公開日	2021-12-15
実験手法	ELECTRON MICROSCOPY (4.1 Å)
主引用文献	Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021

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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

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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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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

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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

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