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7WS7
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Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 510A5 heavy chain, 510A5 light chain, ...
Authors:Guo, H, Gao, Y, Ji, X, Yang, H.
Deposit date:2022-01-28
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS9
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BU of 7ws9 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Guo, H, Gao, Y, Ji, X, Yang, H.
Deposit date:2022-01-28
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS4
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BU of 7ws4 by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 510A5 heavy chain, ...
Authors:Guo, H, Gao, Y, Ji, X, Yang, H.
Deposit date:2022-01-28
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7TUU
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BU of 7tuu by Molmil
Structure of the SARS-CoV-2 main protease in complex with halicin
Descriptor: 3C-like proteinase nsp5, 5-nitro-1,3-thiazole
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-02-03
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Repurposing Halicin as a potent covalent inhibitor for the SARS-CoV-2 main protease.
Curr Res Chem Biol, 2, 2022
7X7U
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BU of 7x7u by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7T
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BU of 7x7t by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7V
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BU of 7x7v by Molmil
Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
8C89
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SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab)
Descriptor: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G.
Deposit date:2023-01-19
Release date:2024-01-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.41 Å)
Cite:A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
7XA7
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BU of 7xa7 by Molmil
Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Tang, L.F, Zhang, D, Han, P, Qi, J.X.
Deposit date:2022-03-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Int J Biol Sci, 18, 2022
8C5R
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BU of 8c5r by Molmil
Omicron B.1.1.529 2 RBD up conformation
Descriptor: Spike glycoprotein
Authors:Raghavan, S.S.R, Walker, M.R, Salanti, A, Barfod, L.K, Wang, K.T.
Deposit date:2023-01-10
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Omicron B.1.1.529 2 RBD up conformation
To Be Published
7VQ0
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BU of 7vq0 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein (2-up RBD) bound to neutralizing nanobodies P86
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A.
Deposit date:2021-10-18
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
Descriptor: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
Authors:Yuan, M, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-05-31
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8E7C
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BU of 8e7c by Molmil
Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Main Protease, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-23
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7N
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BU of 8e7n by Molmil
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-24
Release date:2023-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8DL9
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BU of 8dl9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z199538122
Descriptor: 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A.Y, Coates, L, Kneller, D.W.
Deposit date:2022-07-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DLB
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BU of 8dlb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083
Descriptor: 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A.Y, Coates, L, Kneller, D.W.
Deposit date:2022-07-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DMD
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BU of 8dmd by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
Descriptor: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A, Coates, L, Kneller, D.W.
Deposit date:2022-07-08
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8C24
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BU of 8c24 by Molmil
ParDE1 toxin-antitoxin complex from Mycobacterium tuberculosis (rv1960c-rv1959c)
Descriptor: Antitoxin ParD1, Toxin ParE1
Authors:Beck, I.N, Blower, T.R.
Deposit date:2022-12-21
Release date:2023-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition.
Nucleic Acids Res., 52, 2024
8C26
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BU of 8c26 by Molmil
ParDE2 toxin-antitoxin complex from Mycobacterium tuberculosis (rv2142A-rv2142c)
Descriptor: Antitoxin ParD2, CHLORIDE ION, Toxin ParE2
Authors:Beck, I.N, Blower, T.R.
Deposit date:2022-12-21
Release date:2023-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition.
Nucleic Acids Res., 52, 2024
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-02-25
Release date:2023-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7V1T
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A dual Inhibitor Against Main Protease
Descriptor: 3C-like proteinase, 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide
Authors:Yu, W.Y, Xiao, Y.B, Zhao, Y.C.
Deposit date:2021-08-06
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.562 Å)
Cite:SARS-CoV-2 Mpro complex with inhibitor
To Be Published
8DNN
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Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
Authors:Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2022-07-11
Release date:2023-05-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
8DTK
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Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-07-25
Release date:2023-08-02
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023

224004

数据于2024-08-21公开中

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