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6W63
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Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
著者Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-16
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6W79
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BU of 6w79 by Molmil
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
著者Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-18
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6W7Y
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BU of 6w7y by Molmil
Crystal structure of SARS-CoV and SARS-CoV-2 reactive human antibody CR3022
分子名称: CR3022 Heavy chain, CR3022 Light chain
著者Chen, W.H, Joyce, M.G.
登録日2020-03-19
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure and Antigenicity of the SARS-CoV-2 Receptor Binding Domain
To Be Published
6W81
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BU of 6w81 by Molmil
Structure of PEDV main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: MALONIC ACID, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, Peptidase C30
著者Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-20
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6W9C
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BU of 6w9c by Molmil
The crystal structure of papain-like protease of SARS CoV-2
分子名称: CHLORIDE ION, Non-structural protein 3, ZINC ION
著者Osipiuk, J, Jedrzejczak, R, Tesar, C, Endres, M, Stols, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-22
公開日2020-04-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of papain-like protease of SARS CoV-2
to be published
6W9Q
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BU of 6w9q by Molmil
Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase
分子名称: 3C-like proteinase peptide, Non-structural protein 9 fusion, PHOSPHATE ION
著者Littler, D.R, Gully, B.S, Riboldi-Tunnicliffe, A, Rossjohn, J.
登録日2020-03-23
公開日2020-04-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9.
Iscience, 23, 2020
6WC1
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BU of 6wc1 by Molmil
Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase
分子名称: SARS-coV-2 Non-structural protein 9, SULFATE ION
著者Littler, D.R, Gully, B.S, Rossjohn, J.
登録日2020-03-28
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of a putative peptide-binding site at the dimer interface of the SARS-CoV-2 Nsp9 RNA-replicase.
To Be Published
6WCO
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BU of 6wco by Molmil
Structure of SARS main protease bound to inhibitor X47
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
著者Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-30
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6WEY
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BU of 6wey by Molmil
High-resolution structure of the SARS-CoV-2 NSP3 Macro X domain
分子名称: Non-structural protein 3
著者Vuksanovic, N, Silvaggi, N.R.
登録日2020-04-03
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Molecular Basis for ADP-Ribose Binding to the Mac1 Domain of SARS-CoV-2 nsp3.
Biochemistry, 59, 2020
6WJI
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2.05 Angstrom Resolution Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2
分子名称: CHLORIDE ION, Nucleoprotein
著者Minasov, G, Shuvalova, L, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-13
公開日2020-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Serodominant SARS-CoV-2 Nucleocapsid Peptides Map to Unstructured Protein Regions.
Microbiol Spectr, 2023
6WKP
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BU of 6wkp by Molmil
Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
著者Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-16
公開日2020-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
6WKS
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BU of 6wks by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ...
著者Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H.
登録日2020-04-16
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
6WLC
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BU of 6wlc by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-19
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
6WNP
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BU of 6wnp by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Anson, B, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-23
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
To Be Published
6WOJ
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Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Gao, F.P, Fehr, A.R.
登録日2020-04-24
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase.
J.Virol., 95, 2021
6WPS
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BU of 6wps by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment
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, S309 neutralizing antibody heavy chain, ...
著者Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-27
公開日2020-05-27
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
6WPT
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Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state)
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, S309 neutralizing antibody heavy chain, ...
著者Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-27
公開日2020-05-27
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
6WQF
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Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography
分子名称: 3C-like proteinase
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-04-28
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural plasticity of SARS-CoV-2 3CL Mproactive site cavity revealed by room temperature X-ray crystallography.
Nat Commun, 11, 2020
6WRH
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BU of 6wrh by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant
分子名称: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Welk, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-29
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6WS6
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BU of 6ws6 by Molmil
Structural and functional analysis of a potent sarbecovirus neutralizing antibody
分子名称: O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), S309 antigen-binding (Fab) fragment, heavy chain, ...
著者Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, Marco, A.D, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Telenti, A, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-30
公開日2020-05-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
6WTJ
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Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2020-05-02
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
6WTK
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Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
6WTM
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Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: 3C-like proteinase
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
6WTT
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Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
分子名称: (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, 3C-like proteinase, ...
著者Sacco, M, Ma, C, Chen, Y, Wang, J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
6WUU
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Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250
分子名称: MAGNESIUM ION, Non-structural protein 3, VIR250, ...
著者Lv, Z, Olsen, S.K.
登録日2020-05-05
公開日2020-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020

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