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7X66
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SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex
Descriptor: BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1
Authors:Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
Deposit date:2022-03-06
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex
To Be Published
7Z3T
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BU of 7z3t by Molmil
Crystal structure of apo human Cathepsin L
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7Z3U
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BU of 7z3u by Molmil
Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, Calpeptin, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7Z2K
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BU of 7z2k by Molmil
Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-02-28
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
To Be Published
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
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7Z0X
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THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 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
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:2022-06-15
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
7YZX
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BU of 7yzx by Molmil
ScpA from Streptococcus pyogenes, D783A mutant.
Descriptor: C5a peptidase, CALCIUM ION, MALONIC ACID, ...
Authors:Kagawa, T.F, Cooney, J.C, Jain, M.
Deposit date:2022-02-21
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity.
Data Brief, 46, 2023
7U0X
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BU of 7u0x by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-13
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:Patel, A, Ortlund, E.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7U0E
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BU of 7u0e by Molmil
Crystal Structure of C13C9 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain Fab C13C9, Light chain Fab C13C9, SARS-CoV-2 S fusion peptide
Authors:Tortorici, M.A, Veesler, D.
Deposit date:2022-02-18
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7U0L
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BU of 7u0l by Molmil
Crystal structure of the CCoV-HuPn-2018 RBD (domain B) in complex with canine APN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
7U0Q
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BU of 7u0q by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-02
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:Patel, A, Ortlund, E.
Deposit date:2022-02-18
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7U0A
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BU of 7u0a by Molmil
Crystal Structure of C77G12 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: CHLORIDE ION, Heavy chain Fab C77G12, Light chain Fab C77G12, ...
Authors:Tortorici, M.A, Veesler, D.
Deposit date:2022-02-17
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7U09
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BU of 7u09 by Molmil
Crystal Structure of C13B8 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain Fab C13B8, Light chain Fab C13B8, SARS-CoV-2 S fusion peptide
Authors:Tortorici, M.A, Veesler, D.
Deposit date:2022-02-17
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7WZ2
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BU of 7wz2 by Molmil
SARS-CoV-2 (D614G) Spike trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-02-16
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
7WZ1
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BU of 7wz1 by Molmil
SARS-CoV-2 Omicron Spike trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-02-16
Release date:2022-07-27
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
7TYZ
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BU of 7tyz by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with FSR22, an anti-SARS-CoV-2 DARPin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DARPin FSR22, ...
Authors:Kwon, Y.D, Gorman, J, Kwong, P.D.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
7TZ0
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BU of 7tz0 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with FSR22, an anti-SARS-CoV-2 DARPin (Local refinement of FSR22 and RBD)
Descriptor: DARPin FSR22, Spike glycoprotein
Authors:Kwon, Y.D, Gorman, J, Kwong, P.D.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
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:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
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:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7R4R
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BU of 7r4r by Molmil
The SARS-CoV-2 spike in complex with the 1.10 neutralizing nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.10, ...
Authors:Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A.
Deposit date:2022-02-09
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
7R4Q
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BU of 7r4q by Molmil
The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ...
Authors:Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A.
Deposit date:2022-02-09
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022

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