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7QKC
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Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin
分子名称: Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7YKJ
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BU of 7ykj by Molmil
Omicron RBDs bound with P3E6 Fab (one up and one down)
分子名称: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
著者Tang, B, Dang, S.
登録日2022-07-22
公開日2022-12-28
最終更新日2023-01-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
7TEK
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BU of 7tek by Molmil
SARS-CoV-2 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-N-(3-chlorobenzyl)-2-(pyridin-3-yl)acetamide
分子名称: 3C-like proteinase, N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
著者Goins, C.M, Stauffer, S.R.
登録日2022-01-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole
Med.Chem.Res., 2023
7TEL
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BU of 7tel by Molmil
SARS-CoV-2 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-N-(3-chloro-5-fluorobenzyl)-2-(isoquinolin-4-yl)acetamide
分子名称: 3C-like proteinase, N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide
著者Goins, C.M, Stauffer, S.R.
登録日2022-01-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole
Med.Chem.Res., 2023
7XNF
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BU of 7xnf by Molmil
Structure of SARS-CoV-2 antibody P2C-1F11 with GX/P2V/2017 RBD
分子名称: P2C-1F11 Heavy Chain, P2C-1F11 Lambda chain, Spike protein S1
著者Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F.
登録日2022-04-28
公開日2023-01-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
8FG2
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BU of 8fg2 by Molmil
SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients
分子名称: Nucleoprotein
著者Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
登録日2022-12-12
公開日2023-01-11
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
8FD5
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Nucleocapsid monomer structure from SARS-CoV-2
分子名称: Nucleoprotein
著者Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
登録日2022-12-02
公開日2023-01-11
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (4.57 Å)
主引用文献Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
7XSW
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Structure of SARS-CoV-2 antibody S309 with GX/P2V/2017 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Lambda Chain, ...
著者Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F.
登録日2022-05-15
公開日2023-01-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
8DGX
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BU of 8dgx by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent
分子名称: Antibody CC68.109 Fab heavy chain, Antibody CC68.109 Fab light chain, Spike protein S2'
著者Liu, H, Wilson, I.A.
登録日2022-06-24
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DM3
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BU of 8dm3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with Fab 4A8
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, Fab 4A8 heavy chain, ...
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
登録日2022-07-08
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DM2
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BU of 8dm2 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein (focused refinement of NTD)
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, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
登録日2022-07-08
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DGU
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BU of 8dgu by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC25.106 isolated from a vaccinated COVID-19 convalescent
分子名称: Antibody CC25.106 Fab heavy chain, Antibody CC25.106 Fab light chain, GLYCEROL, ...
著者Liu, H, Wilson, I.A.
登録日2022-06-24
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGV
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BU of 8dgv by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC99.103 isolated from a vaccinated COVID-19 convalescent
分子名称: Antibody CC99.103 Fab heavy chain, Antibody CC99.103 Fab light chain, Spike protein S2'
著者Liu, H, Wilson, I.A.
登録日2022-06-24
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DM1
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BU of 8dm1 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein
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, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
登録日2022-07-08
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DM4
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BU of 8dm4 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8)
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, Fab 4A8 heavy chain, ...
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
登録日2022-07-08
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DGW
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BU of 8dgw by Molmil
Crystal structure of HCoV-HKU1 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC95.108 isolated from a vaccinated COVID-19 convalescent
分子名称: Antibody CC95.108 Fab heavy chain, Antibody CC95.108 Fab light chain, Spike protein S2'
著者Liu, H, Wilson, I.A.
登録日2022-06-24
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
7WQV
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BU of 7wqv by Molmil
Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ...
著者Zha, J, Meng, L, Zhang, X, Li, D.
登録日2022-01-26
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
7UU6
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BU of 7uu6 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU8
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BU of 7uu8 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUC
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BU of 7uuc by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU7
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BU of 7uu7 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUB
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BU of 7uub by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUA
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BU of 7uua by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
分子名称: 3C-like proteinase nsp5, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU9
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BU of 7uu9 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUE
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BU of 7uue by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023

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件を2024-07-17に公開中

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