7N2N
 
 | | TCR-antigen complex AS4.2-PRPF3-HLA*B27 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Yang, X, Jude, K.M, Garcia, K.C. | | Deposit date: | 2021-05-29 | | Release date: | 2022-12-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
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7N2P
 | | AS4.3-RNASEH2b-HLA*B27 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AS4.3 T cell receptor alpha chain, AS4.3 T cell receptor beta chain, ... | | Authors: | Yang, X, Jude, K.M, Garcia, K.C. | | Deposit date: | 2021-05-29 | | Release date: | 2022-12-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
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6BGX
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGY
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | | Descriptor: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH4
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48) | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH0
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51) | | Descriptor: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGU
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9) | | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH2
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1W66
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2LI6
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2MNY
 | | NMR Structure of KDM5B PHD1 finger | | Descriptor: | Lysine-specific demethylase 5B, ZINC ION | | Authors: | Zhang, Y, Yang, H.R, Guo, X, Rong, N.Y, Song, Y.J, Xu, Y.W, Lan, W.X, Xu, Y.H, Cao, C. | | Deposit date: | 2014-04-16 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B.
Protein Cell, 5, 2014
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2MNZ
 | | NMR Structure of KDM5B PHD1 finger in complex with H3K4me0(1-10aa) | | Descriptor: | H3K4me0, Lysine-specific demethylase 5B, ZINC ION | | Authors: | Zhang, Y, Yang, H.R, Guo, X, Rong, N.Y, Song, Y.J, Xu, Y.W, Lan, W.X, Xu, Y.H, Cao, C. | | Deposit date: | 2014-04-16 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B.
Protein Cell, 5, 2014
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5DZO
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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
 | | 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: | 2024-11-13 | | 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
 | | 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: | 2024-10-23 | | 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
 | | 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
 | | 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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8CX4
 | | TCR-antigen complex AS8.4-YEIH-HLA*B27 | | Descriptor: | AS8.4a, AS8.4b, Beta-2-microglobulin, ... | | Authors: | Yang, X, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-19 | | Release date: | 2022-12-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
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4LA3
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1P5J
 | | Crystal Structure Analysis of Human Serine Dehydratase | | Descriptor: | L-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Sun, L, Liu, Y, Rao, Z. | | Deposit date: | 2003-04-27 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallization and preliminary crystallographic analysis of human serine dehydratase.
Acta Crystallogr.,Sect.D, 59, 2003
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4YR6
 | | Fab fragment of 5G6 in complex with epitope peptide | | Descriptor: | ACE-LYS-LEU-ARG-GLY-VAL-LEU-GLN-GLY-HIS-LEU, GLYCEROL, heavy chain of 5G6, ... | | Authors: | Tao, Y, Mo, X, Li, R. | | Deposit date: | 2015-03-14 | | Release date: | 2016-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural basis for the specific inhibition of glycoprotein Ib alpha shedding by an inhibitory antibody.
Sci Rep, 6, 2016
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8UAB
 | | SARS-CoV-2 main protease (Mpro) complex with AC1115 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | DuPrez, K.T, Chao, A, Han, F.Q. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
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8UAC
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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6IZG
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