7S6W
 
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S72
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S70
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S73
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | | 分子名称: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S74
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7S71
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI35 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S6Z
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S75
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 | | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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8DZ8
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8EK5
 | | Engineered scFv 10LH bound to PHOX2B/HLA-A24:02 | | 分子名称: | 10LH single chain fragment variable (scFv), Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Garfinkle, S.E, Florio, T.J, Sgourakis, N.G. | | 登録日 | 2022-09-20 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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7N0Z
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1KTL
 | | The human non-classical major histocompatibility complex molecule HLA-E | | 分子名称: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | 著者 | Holmes, M.A, Strong, R.K. | | 登録日 | 2002-01-16 | | 公開日 | 2003-02-25 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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1KPR
 | | The human non-classical major histocompatibility complex molecule HLA-E | | 分子名称: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | 著者 | Holmes, M.A, Strong, R.K. | | 登録日 | 2002-01-02 | | 公開日 | 2003-02-25 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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8IL0
 | | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 | | 分子名称: | Glycosyltransferase | | 著者 | Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P. | | 登録日 | 2023-03-01 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
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5Z2C
 | | Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose | | 分子名称: | Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | 著者 | Ding, J, She, Y, Shao, F. | | 登録日 | 2018-01-02 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | | 主引用文献 | Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
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5T18
 | | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | | 分子名称: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Muckelbauer, J.K. | | 登録日 | 2016-08-18 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
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5U0C
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5U0B
 | | Structure of full-length Zika virus NS5 | | 分子名称: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | 著者 | Zhao, B, Du, F. | | 登録日 | 2016-11-23 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure and function of the Zika virus full-length NS5 protein.
Nat Commun, 8, 2017
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3GZN
 | | Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 | | 分子名称: | NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... | | 著者 | Sintchak, M.D. | | 登録日 | 2009-04-07 | | 公開日 | 2010-02-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ.
Mol.Cell, 37, 2010
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5W2E
 | | HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876 | | 分子名称: | 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein | | 著者 | Lesburg, C.A, Ummat, A. | | 登録日 | 2017-06-06 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876.
ChemMedChem, 12, 2017
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5W4S
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5CI6
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7VS4
 | | Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex | | 分子名称: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | | 著者 | Zhu, J, Gao, P. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
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7VRU
 | | Crystal structure of PacII_M1M2S-DNA-SAH complex | | 分子名称: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | | 著者 | Zhu, J, Gao, P. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
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8SBL
 | | Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI | | 分子名称: | Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, MHC class I antigen | | 著者 | Mallik, L, Young, M.C, Sgourakis, N.G. | | 登録日 | 2023-04-03 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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