8UCB
 
 | | IRAK4 in complex with compound 8 | | Descriptor: | 6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Metrick, C.M, Chodaparambil, J.V. | | Deposit date: | 2023-09-26 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke.
J.Med.Chem., 67, 2024
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7YDG
 | | Crystal structure of human SARS2 catalytic domain with a disease related mutation | | Descriptor: | Serine--tRNA ligase, mitochondrial | | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
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7YDF
 | | Crystal structure of human SARS2 catalytic domain | | Descriptor: | Serine--tRNA ligase, mitochondrial | | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
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3KY9
 | | Autoinhibited Vav1 | | Descriptor: | Proto-oncogene vav, ZINC ION | | Authors: | Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B. | | Deposit date: | 2009-12-04 | | Release date: | 2010-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.731 Å) | | Cite: | Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
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6CBC
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6GF8
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6GF7
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6K62
 | | Crystal structure of Xanthomonas PcrK | | Descriptor: | Histidine kinase | | Authors: | Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P. | | Deposit date: | 2019-05-31 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4.
J.Struct.Biol., 208, 2019
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3QDD
 | | HSP90A N-terminal domain in complex with BIIB021 | | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Arndt, J.W, Biamonte, M.A. | | Deposit date: | 2011-01-18 | | Release date: | 2012-07-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | EC144 Is a Potent Inhibitor of the Heat Shock Protein 90.
J.Med.Chem., 55, 2012
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4JND
 | | Structure of a C.elegans sex determining protein | | Descriptor: | Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION | | Authors: | Feng, Y, Zhang, Y, Ge, J, Yang, M. | | Deposit date: | 2013-03-15 | | Release date: | 2013-06-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Structural insight into Caenorhabditis elegans sex-determining protein FEM-2.
J.Biol.Chem., 288, 2013
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1TW6
 | | Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.713 Å) | | Cite: | Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP
Biochem.J., 385, 2005
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8WM5
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8JJ9
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5U0B
 | | Structure of full-length Zika virus NS5 | | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Zhao, B, Du, F. | | Deposit date: | 2016-11-23 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and function of the Zika virus full-length NS5 protein.
Nat Commun, 8, 2017
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5U0C
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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 | | Descriptor: | 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 | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2016-08-18 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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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5Z2C
 | | Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose | | Descriptor: | 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 | | Authors: | Ding, J, She, Y, Shao, F. | | Deposit date: | 2018-01-02 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
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7BXH
 | | MavC-Lpg2149 complex | | Descriptor: | Lpg2149, MavC | | Authors: | Gao, P, Wang, Y. | | Deposit date: | 2020-04-19 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
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1KTL
 | | The human non-classical major histocompatibility complex molecule HLA-E | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | Authors: | Holmes, M.A, Strong, R.K. | | Deposit date: | 2002-01-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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5JRH
 | | Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A | | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ... | | Authors: | Shen, L, Zhang, Y. | | Deposit date: | 2016-05-06 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
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8DZ8
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8SBK
 | | Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI (ATG2A). | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, ... | | Authors: | Mallik, L, Young, M.C, Sgourakis, N.G. | | Deposit date: | 2023-04-03 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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8SBL
 | | Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI | | Descriptor: | Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, MHC class I antigen | | Authors: | Mallik, L, Young, M.C, Sgourakis, N.G. | | Deposit date: | 2023-04-03 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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7BXF
 | | MvcA-Lpg2149 complex | | Descriptor: | Lpg2149, MvcA, PRASEODYMIUM ION | | Authors: | Gao, P. | | Deposit date: | 2020-04-19 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
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7BXG
 | | MavC-UBE2N-Ub complex | | Descriptor: | MavC, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N | | Authors: | Gao, P, Wang, Y. | | Deposit date: | 2020-04-19 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
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