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9AT6
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Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
9AT7
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Crystal structure of SARS-CoV-2 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
9ASY
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BU of 9asy by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
8VYE
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BU of 8vye by Molmil
SARS-CoV-2 S (C.37 Lambda variant) plus S309, S2L20, and S2X303 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, S2L20 Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8VYG
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SARS-CoV-2 S RBD (C.37 Lambda variant) plus S309 Fab, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8VYF
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SARS-CoV-2 S NTD (C.37 Lambda variant) plus S2L20 and S2X303 Fabs, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8XKI
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A neutralizing nanobody VHH60 against wt SARS-CoV-2
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:Lu, Y, Guo, H, Ji, X, Yang, H.
Deposit date:2023-12-23
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug.
Cell Death Dis, 15, 2024
8XKC
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BU of 8xkc by Molmil
The structure of HLA-A/Pep16
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XKE
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BU of 8xke by Molmil
The structure of HLA-A/14-3-D
Descriptor: Beta-2-microglobulin, GLU-VAL-ASP-ASN-ALA-THR-ARG-PHE-ALA-SER-VAL-TYR, HLA class I heavy chain
Authors:Zhang, J.N, Yue, C, Liu, J, Sun, Z.Y.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XK2
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BU of 8xk2 by Molmil
A neutralizing nanobody VHH60 against wt SARS-CoV-2
Descriptor: Spike protein S1, VHH60 nanobody
Authors:Lu, Y, Guo, H, Ji, X, Yang, H.
Deposit date:2023-12-22
Release date:2024-07-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug.
Cell Death Dis, 15, 2024
8XI6
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BU of 8xi6 by Molmil
SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 Fab
Descriptor: 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, ...
Authors:Ishimaru, H, Nishimura, M, Shigematsu, H, Marini, M.I, Hasegawa, N, Takamiya, R, Iwata, S, Mori, Y.
Deposit date:2023-12-19
Release date:2024-04-24
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Epitopes of an antibody that neutralizes a wide range of SARS-CoV-2 variants in a conserved subdomain 1 of the spike protein.
J.Virol., 98, 2024
8XFZ
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BU of 8xfz by Molmil
The structure of HLA-A/L1-2
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-14
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XG2
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BU of 8xg2 by Molmil
The structure of HLA-A/Pep14
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-14
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XES
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BU of 8xes by Molmil
The structure of HLA-A/L1-1
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-12
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XBF
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BU of 8xbf by Molmil
Cryo-EM structure of SARS-CoV-2 S-BQ.1 in complex with antibody O5C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, O5C2, heavy chain, ...
Authors:Hsu, H.F, Wu, M.H, Chang, Y.C, Hsu, S.T.D.
Deposit date:2023-12-06
Release date:2024-06-19
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural investigation of a broadly neutralizing SARS-CoV-2 antibody.
JCI Insight, 9, 2024
8V4U
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BU of 8v4u by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Authors:Greasley, S.E, Ferre, R.A, Liu, W.
Deposit date:2023-11-29
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 2024
8UYS
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BU of 8uys by Molmil
SARS-CoV-2 5' proximal stem-loop 5
Descriptor: SARS-CoV-2 RNA SL5 domain.
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-14
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYJ
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BU of 8uyj by Molmil
BtCoV-HKU5 5' proximal stem-loop 5, conformation 4
Descriptor: BtCoV-HKU5 5' proximal stem-loop 5, conformation 4
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYM
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MERS 5' proximal stem-loop 5, conformation 3
Descriptor: MERS 5' proximal stem-loop 5
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYK
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BU of 8uyk by Molmil
MERS 5' proximal stem-loop 5, conformation 1
Descriptor: MERS 5' proximal stem-loop 5
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYL
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BU of 8uyl by Molmil
MERS 5' proximal stem-loop 5, conformation 2
Descriptor: MERS 5' proximal stem-loop 5
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYG
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BU of 8uyg by Molmil
BtCoV-HKU5 5' proximal stem-loop 5, conformation 2
Descriptor: RNA (135-MER)
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYE
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BU of 8uye by Molmil
BtCoV-HKU5 5' proximal stem-loop 5, conformation 1
Descriptor: BtCoV-HKU5 5' proximal stem-loop 5
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYP
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BU of 8uyp by Molmil
SARS-CoV-1 5' proximal stem-loop 5
Descriptor: SARS-CoV-1 5' proximal stem-loop 5
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-13
Release date:2023-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X0X
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BU of 8x0x by Molmil
Crystal structure of JE-5C in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2023-11-06
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024

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數據於2024-07-10公開中

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