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7RVW
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI23
分子名称: 3C-like proteinase, benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVU
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI21
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RW1
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI28
分子名称: 3C-like proteinase, N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7SKZ
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Crystal Structure of VN01H1 Fab in complex with SARS-CoV-2 S fusion peptide
分子名称: Heavy chain of VN01H1 Fab, Light chain of VN01H1 Fab, PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-10-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7RVV
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVZ
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI26
分子名称: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVQ
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVX
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24
分子名称: 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVP
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI14
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVN
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
分子名称: 3C-like proteinase, 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, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVY
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25
分子名称: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVT
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20
分子名称: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7VQ0
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Cryo-EM structure of the SARS-CoV-2 spike protein (2-up RBD) bound to neutralizing nanobodies P86
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者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.
登録日2021-10-18
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
7WOG
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SARS-CoV-2 Omicron S monomer complexed with 553-49
分子名称: 553-49 VH, 553-49 VL, Spike protein S1
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-21
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (4.06 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WOB
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SARS-CoV-2 Spike in complex with IgG 553-60 (2-up trimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb60 VH, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-21
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WO4
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BU of 7wo4 by Molmil
SARS-CoV-2 Spike in complex with IgG 553-15 (S-553-15 dimer trimer )
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb15 VH, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-20
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (4.47 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WO7
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BU of 7wo7 by Molmil
Locally refined region of SARS-CoV-2 Spike in complex with IgG 553-15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, mAb15 VH, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-20
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WO5
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BU of 7wo5 by Molmil
SARS-CoV-2 Spike in complex with IgG 553-15 (S-553-15 trimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb15 VH, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-20
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WOC
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BU of 7woc by Molmil
Locally refined region of SARS-CoV-2 Spike in complex with IgG 553-60
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, mAb60 VH, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-21
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WOA
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BU of 7woa by Molmil
SARS-CoV-2 Spike in complex with IgG 553-60 (1-up trimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb60 VH, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-21
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WZ2
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BU of 7wz2 by Molmil
SARS-CoV-2 (D614G) Spike trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-02-16
公開日2022-07-20
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7S70
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
8D36
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Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
分子名称: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
著者Yuan, M, Lee, C.C.D, Wilson, I.A.
登録日2022-05-31
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
著者Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
登録日2022-06-13
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
著者Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022

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件を2024-07-17に公開中

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