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PDB: 845 件
9FGU
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BU of 9fgu by Molmil
SARS-CoV-2 (B.1.1.529/Omicron variant) Spike protein in complex with the single chain fragment scFv76-77 (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76-77 single chain fragment
著者Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M.
登録日2024-05-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of scFv76-77 in complex with SARS-CoV-2 Omicron Spike protein
To Be Published
9FGT
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SARS-CoV-2 (B.1.1.529/Omicron variant) Spike protein in complex with the single chain fragment scFv76 (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain fragment scFv76, Spike glycoprotein,Fibritin
著者Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M.
登録日2024-05-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of scFv76 in complex with SARS-CoV-2 Omicron Spike protein
To Be Published
9FGR
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BU of 9fgr by Molmil
SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv76-77 (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, scFv76-77 single chain fragment
著者Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M.
登録日2024-05-25
公開日2024-06-05
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of scFv76-77 in complex with SARS-CoV-2 Spike protein
To Be Published
9FGS
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BU of 9fgs by Molmil
SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv41N (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single Chain fragment scFv41N, Spike glycoprotein,Fibritin
著者Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M.
登録日2024-05-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of scFv41N in complex with SARS-CoV-2 Spike protein
To Be Published
1MKV
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BU of 1mkv by Molmil
CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)
分子名称: 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-09-13
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure of the complex of bovine pancreatic phospholipase A2 with a transition-state analogue.
Acta Crystallogr.,Sect.D, 54, 1998
1MKU
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BU of 1mku by Molmil
CARBOXYLIC ESTER HYDROLASE, ORTHORHOMBIC FORM OF THE TRIPLE MUTANT
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-09-10
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Phospholipase A2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99.
Biochemistry, 36, 1997
1MKT
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BU of 1mkt by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.72 ANGSTROM TRIGONAL FORM OF THE BOVINE RECOMBINANT PLA2 ENZYME
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-09-06
公開日1998-03-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献1.72 A resolution refinement of the trigonal form of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 54, 1998
8G1U
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BU of 8g1u by Molmil
Structure of the methylosome-Lsm10/11 complex
分子名称: ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ...
著者Lin, M, Paige, A, Tong, L.
登録日2023-02-03
公開日2023-08-23
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome.
Rna, 29, 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
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-17
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7K
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SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
分子名称: 3C-like proteinase nsp5, nsp4/5 peptidyl substrate
著者Lin, M, Liu, X.
登録日2022-10-20
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-13
公開日2023-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-12
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-11
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-13
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-18
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8HBK
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The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M.
登録日2022-10-29
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H4Y
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-11
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8HOL
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BU of 8hol by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
分子名称: 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-12-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
To Be Published
8HOM
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BU of 8hom by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M, Liu, X.
登録日2022-12-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
To Be Published
8HOZ
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Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-12-11
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
To Be Published
8INY
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M, Liu, X.
登録日2023-03-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
To Be Published
8INW
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor nirmatrelvir
分子名称: (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
著者Lin, M, Liu, X.
登録日2023-03-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor nirmatrelvir
To Be Published
8INQ
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
分子名称: 3C-like proteinase
著者Lin, M, Liu, X.
登録日2023-03-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
To Be Published

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件を2024-10-09に公開中

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