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4BS0
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BU of 4bs0 by Molmil
Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, KEMP ELIMINASE HG3.17, SULFATE ION
Authors:Blomberg, R, Kries, H, Pinkas, D.M, Mittl, P.R.E, Gruetter, M.G, Privett, H.K, Mayo, S, Hilvert, D.
Deposit date:2013-06-06
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase
Nature, 503, 2013
8UH8
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BU of 8uh8 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
Descriptor: ORF1a polyprotein
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-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, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH9
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BU of 8uh9 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-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, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.067 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8AU4
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BU of 8au4 by Molmil
Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator
Descriptor: Ral guanine nucleotide dissociation stimulator-like 2
Authors:Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K.
Deposit date:2022-08-25
Release date:2023-08-23
Last modified:2023-10-25
Method:SOLUTION NMR
Cite:Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
8B69
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BU of 8b69 by Molmil
Heterotetramer of K-Ras4B(G12V) and Rgl2(RBD)
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Tariq, M, Fairall, L, Romartinez-Alonso, B, Dominguez, C, Schwabe, J.W.R, Tanaka, K.
Deposit date:2022-09-26
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
7X92
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BU of 7x92 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab445
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab445 heavy chain, Ab445 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X93
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BU of 7x93 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab765
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab765 heavy chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X95
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BU of 7x95 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab709
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab709 heavy chain, Ab709 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X94
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BU of 7x94 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab712
Descriptor: Ab712 heavy chain, Ab712 light chain, Spike glycoprotein, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X96
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BU of 7x96 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab847
Descriptor: Ab847 heavy chain, Ab847 light chain, Spike glycoprotein, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X91
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BU of 7x91 by Molmil
The SARS-CoV-2 receptor binding domain bound with an Fv-clasp form of a human neutralizing antibody Ab496
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, An Fv-clasp version of the Ab496 heavy chain, An Fv-clasp version of the Ab496 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8W
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BU of 7x8w by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab354
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab354 heavy chain, Ab354 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Z
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BU of 7x8z by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab188
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab188 heavy chain, Ab188 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Y
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BU of 7x8y by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab159
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab159 heavy chain, Ab159 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X90
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BU of 7x90 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab326
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab326 heavy chain, Ab326 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7Y6L
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BU of 7y6l by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab816
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab816 heavy chain, Ab816 light chain, ...
Authors:Uchikubo, T, Shirouzu, M.
Deposit date:2022-06-21
Release date:2023-06-21
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7Y6N
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BU of 7y6n by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab803
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab803 heavy chain, Ab803 light chain, ...
Authors:Uchikubo, T, Shirouzu, M.
Deposit date:2022-06-21
Release date:2023-06-21
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
6E3H
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BU of 6e3h by Molmil
Crystal structure of S9-3-37 bound to H5 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2018-07-14
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The D3-9 gene segment encodes for recurring and adaptable binding motifs in broadly neutralizing antibodies to influenza virus
Cell Host Microbe, 2018

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PDB entries from 2024-09-18

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