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6VNU
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BU of 6vnu by Molmil
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2020-01-29
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
8DFE
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BU of 8dfe by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-22
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DGB
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BU of 8dgb by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-23
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DD9
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BU of 8dd9 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-17
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DDI
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BU of 8ddi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2022-06-18
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
7STA
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BU of 7sta by Molmil
X-ray Crystal Structure of Truncated Human Chemokine CCL19 (7-70)
Descriptor: C-C motif chemokine 19
Authors:Lewandowski, E.M, Kroeck, K, Chen, Y.
Deposit date:2021-11-12
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Molecular Recognition by Human Chemokine CCL19.
Biochemistry, 61, 2022
8DCZ
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BU of 8dcz by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir
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:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-17
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DD1
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BU of 8dd1 by Molmil
SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-17
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DFN
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BU of 8dfn by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-22
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DDM
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BU of 8ddm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2022-06-18
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8D4M
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BU of 8d4m by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-02
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4J
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BU of 8d4j by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant
Descriptor: 3C-like proteinase nsp5, GLYCEROL
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-02
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4N
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BU of 8d4n by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-02
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4L
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BU of 8d4l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-02
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4K
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BU of 8d4k by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-02
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022

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PDB entries from 2024-05-29

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