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7CWN
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BU of 7cwn by Molmil
P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein
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:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7FI4
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BU of 7fi4 by Molmil
Structure of AcrIF13
Descriptor: AcrIF13
Authors:Feng, Y, Gao, T.
Deposit date:2021-07-30
Release date:2022-07-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
Deposit date:2020-05-26
Release date:2020-07-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
5K6J
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BU of 5k6j by Molmil
Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile, MAGNESIUM ION, ...
Authors:Rock, F.L, Zhou, Y, Sullivan, D.
Deposit date:2016-05-24
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:To be published
To Be Published
7WLY
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BU of 7wly by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-05-25
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WLZ
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BU of 7wlz by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down-, 1 up- and 1 invisible RBDs)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-05-25
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WM0
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BU of 7wm0 by Molmil
Cryo-EM structure of the Omicron RBD in complex with 35B5 Fab( local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-08-17
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope
Cell Host Microbe, 30, 2022
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
Authors:Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
Deposit date:2020-09-19
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7EWX
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BU of 7ewx by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (P78A mutant)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWY
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BU of 7ewy by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (D79A mutant)
Descriptor: Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWV
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BU of 7ewv by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (H34A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX1
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BU of 7ex1 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (Y109A mutant)
Descriptor: CHLORIDE ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWZ
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BU of 7ewz by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (D92A mutant)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWW
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BU of 7eww by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (N52A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWU
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BU of 7ewu by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (WT)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX0
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BU of 7ex0 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (K108A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX6
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BU of 7ex6 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 11
Descriptor: MANGANESE (II) ION, Replicase, methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX8
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BU of 7ex8 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 27
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX4
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BU of 7ex4 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 5
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX9
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BU of 7ex9 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 28
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX2
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BU of 7ex2 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form)
Descriptor: MANGANESE (II) ION, Replicase, methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX7
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BU of 7ex7 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 16
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX3
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BU of 7ex3 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 3
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
5XPD
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BU of 5xpd by Molmil
Sugar transporter of AtSWEET13 in inward-facing state with a substrate analog
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, sugar transporter
Authors:Han, L, Zhang, X.J.
Deposit date:2017-06-01
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Molecular mechanism of substrate recognition and transport by the AtSWEET13 sugar transporter
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5YC6
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BU of 5yc6 by Molmil
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6
Descriptor: 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Jiang, L.G, Zhang, X, Huang, M.D.
Deposit date:2017-09-06
Release date:2018-10-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018

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数据于2024-11-06公开中

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