4QC0
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![BU of 4qc0 by Molmil](/molmil-images/mine/4qc0) | Crystal structure of human TLR8 in complex with XG-1-236 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds J.Med.Chem., 57, 2014
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4R6A
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![BU of 4r6a by Molmil](/molmil-images/mine/4r6a) | Crystal structure of human TLR8 in complex with Hybrid-2 | Descriptor: | 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-08-22 | Release date: | 2015-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hybrid-2: AnImidazoquinoline Dual Toll-like receptor 7/8 Agonist that Potently Activates Cytokine Production by Human Newborn and Adult Leukocytes To be Published
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4QBZ
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![BU of 4qbz by Molmil](/molmil-images/mine/4qbz) | Crystal structure of human TLR8 in complex with DS-802 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds J.Med.Chem., 57, 2014
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3WN4
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![BU of 3wn4 by Molmil](/molmil-images/mine/3wn4) | Crystal structure of human TLR8 in complex with DS-877 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butylfuro[2,3-c]quinolin-4-amine, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-12-02 | Release date: | 2014-02-19 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-based design of novel human Toll-like receptor 8 agonists. Chemmedchem, 9, 2014
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1ET0
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![BU of 1et0 by Molmil](/molmil-images/mine/1et0) | CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE LYASE FROM ESCHERICHIA COLI | Descriptor: | 4-AMINO-4-DEOXYCHORISMATE LYASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Nakai, T, Mizutani, H, Miyahara, I, Hirotsu, K, Takeda, S, Jhee, K.H, Yoshimura, T, Esaki, N. | Deposit date: | 2000-04-12 | Release date: | 2000-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structure of 4-amino-4-deoxychorismate lyase from Escherichia coli. J.Biochem.(Tokyo), 128, 2000
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1R6X
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![BU of 1r6x by Molmil](/molmil-images/mine/1r6x) | The Crystal Structure of a Truncated Form of Yeast ATP Sulfurylase, Lacking the C-Terminal APS Kinase-like Domain, in complex with Sulfate | Descriptor: | ATP:sulfate adenylyltransferase, COBALT (II) ION, SULFATE ION | Authors: | Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F. | Deposit date: | 2003-10-17 | Release date: | 2003-11-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity Protein Eng., 16, 2003
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8HN3
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![BU of 8hn3 by Molmil](/molmil-images/mine/8hn3) | Soluble domain of cytochrome c-556 from Chlorobaculum tepidum | Descriptor: | ACETATE ION, Cytochrome c-556, GLYCEROL, ... | Authors: | Kishimoto, H, Azai, C, Yamamoto, T, Mutoh, R, Nakaniwa, T, Tanaka, H, Kurisu, G, Oh-oka, H. | Deposit date: | 2022-12-07 | Release date: | 2023-07-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Soluble domains of cytochrome c-556 and Rieske iron-sulfur protein from Chlorobaculum tepidum: Crystal structures and interaction analysis. Curr Res Struct Biol, 5, 2023
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8HN2
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![BU of 8hn2 by Molmil](/molmil-images/mine/8hn2) | Selenomethionine-labelled soluble domain of Rieske iron-sulfur protein from chlorobaculum tepidum | Descriptor: | Cytochrome b6-f complex iron-sulfur subunit, FE2/S2 (INORGANIC) CLUSTER | Authors: | Kishimoto, H, Mutoh, R, Tanaka, H, Kurisu, G, Oh-oka, H. | Deposit date: | 2022-12-07 | Release date: | 2023-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Soluble domains of cytochrome c-556 and Rieske iron-sulfur protein from Chlorobaculum tepidum: Crystal structures and interaction analysis. Curr Res Struct Biol, 5, 2023
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8FTL
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![BU of 8ftl by Molmil](/molmil-images/mine/8ftl) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2023-01-12 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 To Be Published
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8DGB
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![BU of 8dgb by Molmil](/molmil-images/mine/8dgb) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-23 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DD1
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![BU of 8dd1 by Molmil](/molmil-images/mine/8dd1) | SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFN
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![BU of 8dfn by Molmil](/molmil-images/mine/8dfn) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DCZ
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![BU of 8dcz by Molmil](/molmil-images/mine/8dcz) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir | Descriptor: | (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 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFE
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![BU of 8dfe by Molmil](/molmil-images/mine/8dfe) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DD9
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![BU of 8dd9 by Molmil](/molmil-images/mine/8dd9) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8D4L
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![BU of 8d4l by Molmil](/molmil-images/mine/8d4l) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4K
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![BU of 8d4k by Molmil](/molmil-images/mine/8d4k) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4M
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![BU of 8d4m by Molmil](/molmil-images/mine/8d4m) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4J
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![BU of 8d4j by Molmil](/molmil-images/mine/8d4j) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4N
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![BU of 8d4n by Molmil](/molmil-images/mine/8d4n) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8EHK
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![BU of 8ehk by Molmil](/molmil-images/mine/8ehk) | |
8EHM
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![BU of 8ehm by Molmil](/molmil-images/mine/8ehm) | |
8EHL
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![BU of 8ehl by Molmil](/molmil-images/mine/8ehl) | |
8EHJ
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![BU of 8ehj by Molmil](/molmil-images/mine/8ehj) | |
7CRF
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![BU of 7crf by Molmil](/molmil-images/mine/7crf) | Crystal structure of human TLR8 in complex with CU-CPD107 | Descriptor: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2020-08-13 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists. Nat Commun, 12, 2021
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