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7TDU
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BU of 7tdu by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-01-03
Release date:2022-03-02
Last modified:2024-10-23
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TAU
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BU of 7tau by Molmil
Refined capsid structure of human adenovirus D26 at 3.4 A resolution
Descriptor: Fiber, Hexon protein, PIX, ...
Authors:Reddy, V.S, Yu, X, Barry, M.A.
Deposit date:2021-12-21
Release date:2022-03-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Refined Capsid Structure of Human Adenovirus D26 at 3.4 angstrom Resolution.
Viruses, 14, 2022
7T67
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BU of 7t67 by Molmil
SARS-CoV-2 S (Spike Glycoprotein) D614G with One(1) RBD Up
Descriptor: 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
Authors:Byrne, P.O, McLellan, J.S.
Deposit date:2021-12-13
Release date:2022-08-24
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:IgG-like bispecific antibodies with potent and synergistic neutralization against circulating SARS-CoV-2 variants of concern.
Nat Commun, 13, 2022
7T3M
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BU of 7t3m by Molmil
SARS-CoV-2 S (Spike Glycoprotein) D614G with Three (3) RBDs Up, Bound to Antibody 2-7 scFv, composite map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2-7 scFv, ...
Authors:Byrne, P.O, McLellan, J.S.
Deposit date:2021-12-08
Release date:2022-08-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:IgG-like bispecific antibodies with potent and synergistic neutralization against circulating SARS-CoV-2 variants of concern.
Nat Commun, 13, 2022
7SL5
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BU of 7sl5 by Molmil
Crystal Structure of VP12E7 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain VP12E7 Fab, Light chain VP12E7 Fab, PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7SKZ
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BU of 7skz by Molmil
Crystal Structure of VN01H1 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain of VN01H1 Fab, Light chain of VN01H1 Fab, PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7STS
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BU of 7sts by Molmil
Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
Descriptor: Fab S24-1379, heavy chain, light chain, ...
Authors:Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-15
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7SUE
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BU of 7sue by Molmil
Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2
Descriptor: Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain
Authors:Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-17
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7STR
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BU of 7str by Molmil
Crystal Structure of Human Fab S24-1063 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
Descriptor: 1,2-ETHANEDIOL, Fab S24-1063, Heavy chain, ...
Authors:Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-15
Release date:2022-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7THH
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BU of 7thh by Molmil
SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-01-11
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
to be published
7TQ7
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BU of 7tq7 by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c
Descriptor: N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TLL
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BU of 7tll by Molmil
Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332)
Descriptor: (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
Authors:Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E.
Deposit date:2022-01-18
Release date:2022-01-26
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
7TN0
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BU of 7tn0 by Molmil
SARS-CoV-2 Omicron RBD in complex with human ACE2 and S304 Fab and S309 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:McCallum, M, Czudnochowski, N, Nix, J.C, Croll, T.I, SSGCID, Dillen, J.R, Snell, G, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-20
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
7THT
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BU of 7tht by Molmil
CryoEM structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1042
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 heavy chain, ...
Authors:Manne, K, May, A, Acharya, P.
Deposit date:2022-01-12
Release date:2022-02-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TVX
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BU of 7tvx by Molmil
The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with masitinib
Descriptor: 3C-like proteinase nsp5, Masitinib
Authors:Tan, K, Maltseva, N.I, Endres, M.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-02-06
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with masitinib
To Be Published
7TP3
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BU of 7tp3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
Descriptor: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TFR
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BU of 7tfr by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2
Descriptor: (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-01-07
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7THK
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BU of 7thk by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike omicron B.1.1.529 variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Shapiro, L.
Deposit date:2022-01-11
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Cryo-EM structure of the SARS-CoV-2 Omicron spike.
Cell Rep, 38, 2022
7TQ8
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BU of 7tq8 by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ...
Authors:Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7U29
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BU of 7u29 by Molmil
Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (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
Authors:Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2022-02-23
Release date:2022-03-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
7U28
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BU of 7u28 by Molmil
Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (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
Authors:Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E.
Deposit date:2022-02-23
Release date:2022-03-09
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
7TTM
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BU of 7ttm by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat SHC014 receptor-binding domain
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7TPR
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BU of 7tpr by Molmil
Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants
Descriptor: Nanobody 7A3, Nanobody 8A2, Spike glycoprotein
Authors:Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J.
Deposit date:2022-01-25
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Camel nanobodies broadly neutralize SARS-CoV-2 variants
bioRxiv, 2021
7TTX
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BU of 7ttx by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat RaTG13 receptor-binding domain
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022

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