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8P44
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BU of 8p44 by Molmil
Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D
Descriptor: 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165
Authors:Duchoslav, V, Klima, M, Boura, E.
Deposit date:2023-05-19
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8A5X
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BU of 8a5x by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373
Descriptor: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin
Authors:Klima, M, Boura, E.
Deposit date:2022-06-16
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold.
Bioorg.Med.Chem.Lett., 76, 2022
7ZV5
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BU of 7zv5 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor TRIP5
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
7ZV7
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BU of 7zv7 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor 57
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
7ZV8
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BU of 7zv8 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ...
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
8UHJ
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BU of 8uhj by Molmil
anti-Phosphohistidine Fab hSC44.ck.20.N32F
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, hSC44.ck.20.N32F Fab light chain, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-09
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UIT
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BU of 8uit by Molmil
anti-Phosphohistidine Fab hSC44.ck with 3pHis peptide
Descriptor: 3pHis peptide, hSC44.ck Fab heavy chain, hSC44.ck Fab light chain
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-10
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UHP
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BU of 8uhp by Molmil
anti-Phosphohistidine Fab hSC44.ck.20.N32F with 3pTZA peptide
Descriptor: 1,2-ETHANEDIOL, 3pTza peptide, ACETATE ION, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-09
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UHS
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BU of 8uhs by Molmil
anti-Phosphohistidine Fab hSC44.ck.20.elbow bound to phosphate
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, hSC44.ck.20.elbow Fab heavy chain, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-09
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UHH
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BU of 8uhh by Molmil
anti-Phosphohistidine Fab hSC44.ck.elbow.20.N32F
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-09
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UIG
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BU of 8uig by Molmil
anti-Phosphohistidine Fab hSC44.ck.20 with 3pHis peptide
Descriptor: 3pHis peptide, hSC44.ck.20 Fab heavy chain, hSC44.ck.20 Fab light chain
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-10
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UHT
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BU of 8uht by Molmil
anti-Phosphohistidine Fab hSC44.ck.20.elbow bound to Glu H1
Descriptor: hSC44.ck.20.elbow Fab heavy chain, hSC44.ck.20.elbow Fab light chain
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-09
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UHN
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BU of 8uhn by Molmil
anti-Phosphohistidine Fab hSC44.ck.20.N32F with 3pHis peptide
Descriptor: 1,2-ETHANEDIOL, 3pHis peptide, ACETATE ION, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-09
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UIO
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BU of 8uio by Molmil
anti-Phosphohistidine Fab hSC44.ck
Descriptor: CITRIC ACID, hSC44.ck Fab heavy chain, hSC44.ck Fab light chain
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-10
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UIH
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BU of 8uih by Molmil
anti-Phosphohistidine Fab hSC44.ck.20 with 3pTza peptide
Descriptor: 1,2-ETHANEDIOL, 3ptza peptide, hSC44.ck.20 Fab heavy chain, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-10
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
8UJI
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BU of 8uji by Molmil
anti-Phosphohistidine Fab hSC44.ck with 3pTza peptide
Descriptor: 1,2-ETHANEDIOL, 3-pTza peptide, hSC44.CK Fab heavy chain, ...
Authors:Kalagiri, R, Stanfield, R.L, Hunter, T, Wilson, I.A.
Deposit date:2023-10-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Using phage display for rational engineering of a higher affinity humanized 3' phosphohistidine-specific antibody.
Biorxiv, 2024
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