8C34
| |
8C35
| |
8C33
| |
8C32
| |
8C37
| |
8C31
| |
8FY7
| SARS-CoV-2 main protease in complex with covalent inhibitor | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Fried, W, Chen, X.S. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
|
|
8FY6
| SARS-CoV-2 main protease in complex with covalent inhibitor | Descriptor: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Fried, W, Chen, X.S. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
|
|
2R0B
| Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-18 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
|
|
7SI9
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | 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 | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
|
|
7QNY
| The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
|
|
7T4J
| Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | Authors: | Skene, R.J, Lane, W, Hu, Y. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
|
|
7T4I
| Crystal Structure of wild type EGFR in complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Skene, R.J, Lane, W. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
|
|
7TFR
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
|
|
7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
|
|
7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
|
|
2Q5E
| Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2 | Descriptor: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-05-31 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
|
|
6L3A
| Cytochrome P450 107G1 (RapN) with everolimus | Descriptor: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
|
|
4ICS
| Crystal structure of PepS from Streptococcus pneumoniae in complex with a substrate | Descriptor: | Aminopeptidase PepS, GLYCINE, TRYPTOPHAN, ... | Authors: | Lee, S, Kim, K.K, Ta, M.H. | Deposit date: | 2012-12-11 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-based elucidation of the regulatory mechanism for aminopeptidase activity. Acta Crystallogr.,Sect.D, 69, 2013
|
|
4ICR
| Structural basis for substrate recognition and reaction mechanism of bacterial aminopeptidase peps | Descriptor: | Aminopeptidase PepS, CACODYLATE ION, ZINC ION | Authors: | Lee, S, Kim, K.K, Ta, M.H. | Deposit date: | 2012-12-11 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-based elucidation of the regulatory mechanism for aminopeptidase activity. Acta Crystallogr.,Sect.D, 69, 2013
|
|
6VBP
| |
6VBQ
| |
6VBO
| |
7QNW
| The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
|
|
7QNX
| The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
|
|