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7UUP
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SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with Nirmatrelvir (PF-07321332)
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, CHLORIDE ION
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2022-04-28
公開日2023-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7UU9
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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
7XMN
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Structure of SARS-CoV-2 ORF8
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ...
著者Chen, X, Xu, W.
登録日2022-04-26
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
7US4
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Sars-Cov2 Main Protease in complex with CDD-1819
分子名称: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase
著者Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
登録日2022-04-22
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7URS
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Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COV11 Fab HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URQ
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Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COV11 Fab HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URB
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Sars-Cov2 Main Protease in complex with CDD-1733
分子名称: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase
著者Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
登録日2022-04-21
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7UR9
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SARS-Cov2 Main protease in complex with inhibitor CDD-1845
分子名称: (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5
著者Lu, S, Palzkill, T.
登録日2022-04-21
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7UOW
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SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 034_32
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, Monoclonal antibody 034_32 heavy chain, ...
著者Patel, A, Ortlund, E.
登録日2022-04-14
公開日2023-04-19
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7ZL1
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PTX3 Pentraxin Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3
著者Noone, D.P, Sharp, T.H.
登録日2022-04-13
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XIK
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SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
分子名称: B38 Fab heavy chain, B38 Fab light chain, Spike protein S1
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-04-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
To Be Published
7XIL
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SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B38 Fab heavy chain, B38 Fab light chain, ...
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-04-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
To Be Published
7XIC
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S-ECD (Omicron) in complex with STS165
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Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2022-04-12
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
7XID
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S-ECD (Omicron) in complex with PD of ACE2
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Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2022-04-12
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
7ZH2
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SARS CoV Spike protein, Closed C1 conformation
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7ZH1
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SARS CoV Spike protein, Closed C3 conformation
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7ZH5
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SARS CoV Spike protein, Open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7UKL
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BU of 7ukl by Molmil
Cryo-EM structure of Antibody 12-16 in complex with prefusion SARS-CoV-2 Spike glycoprotein
分子名称: 12-16 Fab Heavy Chain, 12-16 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Casner, R.G, Shapiro, L.
登録日2022-04-01
公開日2023-10-04
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Antibodies targeting a quaternary site on SARS-CoV-2 spike glycoprotein prevent viral receptor engagement by conformational locking.
Immunity, 56, 2023
7ZDQ
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BU of 7zdq by Molmil
Cryo-EM structure of Human ACE2 bound to a high-affinity SARS CoV-2 mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Bate, N, Savva, C.G, Moody, P.C.E, Brown, E.A, Schwabe, W.R, Brindle, N.P.J, Ball, J.K, Sale, J.E.
登録日2022-03-29
公開日2022-05-18
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding.
Plos Pathog., 18, 2022
7ZCE
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BU of 7zce by Molmil
SARS-CoV-2 Spike protein in complex with the single chain fragment scFv76
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,Fibritin, ...
著者Chaves-Sanjuan, A, Bolognesi, M.
登録日2022-03-28
公開日2022-10-12
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
7ZCF
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SARS-CoV-2 Spike RBD in complex with the single chain fragment scFv76 (Focused Refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76 single chain fragment
著者Chaves-Sanjuan, A, Bolognesi, M.
登録日2022-03-28
公開日2022-10-12
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
7UHB
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SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
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, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7UHC
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SARS-CoV-2 spike in complex with AHB2-2GS-SB175
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, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
分子名称: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
著者Wang, X, Wang, Z.
登録日2022-03-26
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7ZBU
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CryoEM structure of SARS-CoV-2 spike monomer in complex with neutralising antibody P008_60
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, P008_60 antibody, ...
著者Rosa, A, Pye, V.E, Cronin, N, Cherepanov, P.
登録日2022-03-24
公開日2022-08-17
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (4.31 Å)
主引用文献A neutralizing epitope on the SD1 domain of SARS-CoV-2 spike targeted following infection and vaccination.
Cell Rep, 40, 2022

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