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7FDI
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SARS-COV-2 Spike RBDMACSp36 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7P55
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BU of 7p55 by Molmil
NMR structure of human ACE2 21-42 fragment in HFIP/water 50/50 v/v
分子名称: Processed angiotensin-converting enzyme 2
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5Q
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BU of 7p5q by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineage B.1.1.7 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5S
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BU of 7p5s by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 and B.1.351 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5G
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BU of 7p5g by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7RFR
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BU of 7rfr by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.626 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFU
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BU of 7rfu by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFW
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BU of 7rfw by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
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
著者Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFS
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BU of 7rfs by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
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
著者Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
分子名称: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
著者Whitefield, C, Hong, N.S, Jackson, C.J.
登録日2021-07-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
7P51
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BU of 7p51 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ...
著者Hanoulle, X, Moschidi, D.
登録日2021-07-13
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.474 Å)
主引用文献NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
7P40
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BU of 7p40 by Molmil
P5C3 is a potent fab neutralizer
分子名称: Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL)
著者perez, L.
登録日2021-07-09
公開日2021-10-13
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
7RC0
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BU of 7rc0 by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20
分子名称: 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RBS
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BU of 7rbs by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with human ISG15
分子名称: Papain-like protease, Ubiquitin-like protein ISG15, ZINC ION
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7RBZ
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BU of 7rbz by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20
分子名称: 3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RBR
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BU of 7rbr by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7RBY
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BU of 7rby by Molmil
Crystal structure of Nanobody nb112 and SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ilama-isolated nanobody NIH-CoV nb-112 specific to SARS-CoV-2 RBD, MAGNESIUM ION, ...
著者Chen, Y, Tolbert, W, Pazgier, M.
登録日2021-07-06
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Nebulized delivery of a broadly neutralizing SARS-CoV-2 RBD-specific nanobody prevents clinical, virological, and pathological disease in a Syrian hamster model of COVID-19.
Mabs, 14
7FAC
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BU of 7fac by Molmil
Crystal Structure of C-terminus of the non-structural protein 2 from SARS coronavirus
分子名称: Non-structural protein 2, ZINC ION
著者Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H.
登録日2021-07-06
公開日2022-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function.
Annu.Rev.Biochem., 91, 2022
7RB2
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BU of 7rb2 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU in BIS-Tris pH 6.0
分子名称: Uridylate-specific endoribonuclease
著者Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
登録日2021-07-05
公開日2021-07-14
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7RB0
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BU of 7rb0 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5
分子名称: Uridylate-specific endoribonuclease
著者Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
登録日2021-07-05
公開日2021-07-14
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7FA1
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BU of 7fa1 by Molmil
Crystal Structure of N-terminus of the non-structural protein 2 from SARS coronavirus
分子名称: Non-structural protein 2, ZINC ION
著者Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H.
登録日2021-07-05
公開日2022-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function.
Annu.Rev.Biochem., 91, 2022
7F7E
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BU of 7f7e by Molmil
SARS-CoV-2 S protein RBD in complex with A5-10 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ...
著者Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B.
登録日2021-06-29
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants.
Emerg Microbes Infect, 11, 2022
7F7H
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BU of 7f7h by Molmil
SARS-CoV-2 S protein RBD in complex with A8-1 Fab
分子名称: Heavy chain of A8-1 Fab, Light chain of A8-1 Fab, Spike glycoprotein S1
著者Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B.
登録日2021-06-29
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献High throughput isolation of potent neutralizing antibodies from convalescent COVID-19 patients.
To Be Published
7OZV
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BU of 7ozv by Molmil
SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G
分子名称: Non-structural protein 7, Non-structural protein 8, Product RNA, ...
著者Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P.
登録日2021-06-28
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021

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