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7V05
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BU of 7v05 by Molmil
Complex of Plasmodium falciparum circumsporozoite protein with 850 Fab
Descriptor: 850 Fab Heavy Chain, 850 Fab Light Chain, Circumsporozoite protein
Authors:Kucharska, I, Prieto, K, Rubinstein, J.L, Julien, J.P.
Deposit date:2022-05-09
Release date:2022-11-23
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
7UYL
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BU of 7uyl by Molmil
850 Fab
Descriptor: 850 Fab Heavy Chain, 850 Fab Light Chain, GLYCEROL, ...
Authors:Kucharska, I, Prieto, K, Julien, J.P.
Deposit date:2022-05-06
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
7UYM
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BU of 7uym by Molmil
850 Fab in complex with NANPNANPNANP peptide
Descriptor: 850 Fab Heavy Chain, 850 Fab Light Chain, Circumsporozoite protein, ...
Authors:Kucharska, I, Prieto, K, Julien, J.P.
Deposit date:2022-05-06
Release date:2022-11-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
Descriptor: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
Descriptor: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8IW5
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BU of 8iw5 by Molmil
Crystal structure of liprin-beta H2H3 dimer
Descriptor: CALCIUM ION, Liprin-beta-1
Authors:Zhang, J, Chen, S, Wei, Z.
Deposit date:2023-03-29
Release date:2023-11-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
2PVC
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BU of 2pvc by Molmil
DNMT3L recognizes unmethylated histone H3 lysine 4
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION
Authors:Cheng, X.
Deposit date:2007-05-09
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
7F8L
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BU of 7f8l by Molmil
Crystal structure of Bat coronavirus RaTG13 ORF8 accessory protein
Descriptor: CALCIUM ION, Nonstructural protein NS8
Authors:Chen, X, Zhou, Z, Chen, S.
Deposit date:2021-07-02
Release date:2022-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021
7F5F
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BU of 7f5f by Molmil
SARS-CoV-2 ORF8 S84
Descriptor: CALCIUM ION, ORF8 protein
Authors:Chen, S, Zhou, Z, Chen, X.
Deposit date:2021-06-22
Release date:2022-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021
7D3M
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BU of 7d3m by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY R50
Descriptor: O/TIBET/99 VP1, O/TIBET/99 VP2, O/TIBET/99 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3L
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BU of 7d3l by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY F145
Descriptor: F145 VH, F145 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3K
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BU of 7d3k by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY B77
Descriptor: B77 VH, B77 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3R
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BU of 7d3r by Molmil
FOOT AND MOUTH DISEASE VIRUS A/WH/CHA/09-BOUND THE SINGLE CHAIN FRAGME ANTIBODY R50
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-20
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
4E9U
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BU of 4e9u by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor
Descriptor: 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION
Authors:Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4E9Z
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BU of 4e9z by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with quinuclidine BPH-651 in the S1 site
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4EA0
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BU of 4ea0 by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ...
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
8UOB
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BU of 8uob by Molmil
SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682
Descriptor: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E.
Deposit date:2023-10-19
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUG
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BU of 8uug by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
Descriptor: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUW
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BU of 8uuw by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
Descriptor: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUF
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BU of 8uuf by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941
Descriptor: ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ...
Authors:Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUY
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BU of 8uuy by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024

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