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4QQG
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BU of 4qqg by Molmil
Crystal structure of an N-terminal HTATIP fragment
Descriptor: Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWF
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BU of 4lwf by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3
Descriptor: 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWG
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BU of 4lwg by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4
Descriptor: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
7YVL
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BU of 7yvl by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
Descriptor: Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVN
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BU of 7yvn by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVE
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BU of 7yve by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVP
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BU of 7yvp by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVG
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BU of 7yvg by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVK
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BU of 7yvk by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVO
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BU of 7yvo by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVH
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BU of 7yvh by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab
Descriptor: Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVM
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BU of 7yvm by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
Descriptor: Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVF
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BU of 7yvf by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab
Descriptor: Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVJ
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BU of 7yvj by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH236 Fab
Descriptor: Spike glycoprotein, TH236 Fab heavy chain, TH236 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVI
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BU of 7yvi by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH236 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH236 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8H6I
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BU of 8h6i by Molmil
The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-10-17
Release date:2023-10-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7K
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BU of 8h7k by Molmil
SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
Descriptor: 3C-like proteinase nsp5, nsp4/5 peptidyl substrate
Authors:Lin, M, Liu, X.
Deposit date:2022-10-20
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7W
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BU of 8h7w by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor 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:Lin, M, Liu, X.
Deposit date:2022-10-21
Release date:2023-10-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H5F
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BU of 8h5f by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor 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:Lin, M, Liu, X.
Deposit date:2022-10-13
Release date:2023-10-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H51
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BU of 8h51 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor 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:Lin, M, Liu, X.
Deposit date:2022-10-11
Release date:2023-10-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H5P
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BU of 8h5p by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor 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:Lin, M, Liu, X.
Deposit date:2022-10-13
Release date:2023-10-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H6N
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BU of 8h6n by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor 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, 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-10-18
Release date:2023-10-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H57
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BU of 8h57 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor 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:Lin, M, Liu, X.
Deposit date:2022-10-12
Release date:2023-10-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H82
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BU of 8h82 by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor 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:Lin, M, Liu, X.
Deposit date:2022-10-21
Release date:2023-10-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023

238582

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