7SF1
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![BU of 7sf1 by Molmil](/molmil-images/mine/7sf1) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7U92
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![BU of 7u92 by Molmil](/molmil-images/mine/7u92) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-03-09 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7UEK
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![BU of 7uek by Molmil](/molmil-images/mine/7uek) | |
4V29
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![BU of 4v29 by Molmil](/molmil-images/mine/4v29) | |
8D47
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![BU of 8d47 by Molmil](/molmil-images/mine/8d47) | |
8D48
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![BU of 8d48 by Molmil](/molmil-images/mine/8d48) | sd1.040 Fab in complex with SARS-CoV-2 Spike 2P glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ... | Authors: | Abernathy, M.E, Barnes, C.O. | Deposit date: | 2022-06-01 | Release date: | 2023-01-25 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein. Sci Immunol, 8, 2023
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6E7I
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![BU of 6e7i by Molmil](/molmil-images/mine/6e7i) | Human ppGalNAcT2 I253A/L310A Mutant with EA2 and UDP | Descriptor: | EA2, MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, ... | Authors: | Bertozzi, C.R, Schumann, B, Agbay, A.J. | Deposit date: | 2018-07-26 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells. Mol.Cell, 78, 2020
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3RXW
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![BU of 3rxw by Molmil](/molmil-images/mine/3rxw) | KPC-2 carbapenemase in complex with PSR3-226 | Descriptor: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2011-05-10 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
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3RXX
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![BU of 3rxx by Molmil](/molmil-images/mine/3rxx) | KPC-2 carbapenemase in complex with 3-NPBA | Descriptor: | 3-NITROPHENYLBORONIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2011-05-10 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
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5A50
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![BU of 5a50 by Molmil](/molmil-images/mine/5a50) | |
5A4X
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![BU of 5a4x by Molmil](/molmil-images/mine/5a4x) | |
5A51
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![BU of 5a51 by Molmil](/molmil-images/mine/5a51) | |
7K7R
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![BU of 7k7r by Molmil](/molmil-images/mine/7k7r) | EBNA1 peptide AA386-405 with Fab MS39p2w174 | Descriptor: | CHLORIDE ION, EBNA1 peptide AA386-405, Fab HC MS39p2w174, ... | Authors: | Lanz, T.V, Robinson, W.H, Jude, K.M. | Deposit date: | 2020-09-23 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Clonally expanded B cells in multiple sclerosis bind EBV EBNA1 and GlialCAM. Nature, 603, 2022
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