7T6W
| Crystal structure of Chaetomium Glucosidase I (apo) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, GLYCEROL, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-12-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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7T8V
| Co-crystal structure of Chaetomium glucosidase I with EB-0159 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-12-17 | Release date: | 2022-05-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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7T66
| Co-crystal structure of Chaetomium glucosidase with compound UV-4 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-12-13 | Release date: | 2022-05-04 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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7T68
| Co-crystal structure of Chaetomium glucosidase with compound UV-5 | Descriptor: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-12-13 | Release date: | 2022-05-04 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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6VRN
| T cell receptor-p53-HLA-A2 complex | Descriptor: | Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ... | Authors: | Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A. | Deposit date: | 2020-02-08 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun, 11, 2020
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6VTC
| p53-specific T cell receptor | Descriptor: | T-cell Receptor 1a2, p53-specific T cell receptor, B-chain | Authors: | Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A. | Deposit date: | 2020-02-12 | Release date: | 2020-06-17 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun, 11, 2020
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3OWE
| Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a High Affinity Mutant Mouse T-cell Receptor Chain | Descriptor: | Beta-chain, Enterotoxin SEG | Authors: | Fernandez, M.M, Cho, S, Robinson, H, Mariuzza, R.A, Malchiodi, M.L. | Deposit date: | 2010-09-17 | Release date: | 2010-11-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of staphylococcal enterotoxin G (SEG) in complex with a mouse T-cell receptor {beta} chain. J.Biol.Chem., 286, 2011
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2IAM
| Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | Descriptor: | 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ... | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | Deposit date: | 2006-09-08 | Release date: | 2007-04-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor Nat.Immunol., 8, 2007
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2IAN
| Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | Descriptor: | 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ... | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | Deposit date: | 2006-09-08 | Release date: | 2007-04-03 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor Nat.Immunol., 8, 2007
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3O6F
| Crystal structure of a human autoimmune TCR MS2-3C8 bound to MHC class II self-ligand MBP/HLA-DR4 | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | Authors: | Yin, Y, Li, Y, Martin, R, Mariuzza, R.A. | Deposit date: | 2010-07-29 | Release date: | 2011-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a TCR with high affinity for self-antigen reveals basis for escape from negative selection. Embo J., 30, 2011
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2G9H
| Crystal Structure of Staphylococcal Enterotoxin I (SEI) in Complex with a Human MHC class II Molecule | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ... | Authors: | Fernandez, M.M, Guan, R, Malchiodi, E.L, Mariuzza, R.A. | Deposit date: | 2006-03-06 | Release date: | 2006-07-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of staphylococcal enterotoxin I (SEI) in complex with a human major histocompatibility complex class II molecule. J.Biol.Chem., 281, 2006
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2IAL
| Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | Descriptor: | CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | Deposit date: | 2006-09-08 | Release date: | 2007-04-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor Nat.Immunol., 8, 2007
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1SBB
| T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SUPERANTIGEN SEB | Descriptor: | PROTEIN (14.3.D T CELL ANTIGEN RECEPTOR), PROTEIN (STAPHYLOCOCCAL ENTEROTOXIN B) | Authors: | Li, H, Mariuzza, R.A. | Deposit date: | 1999-02-22 | Release date: | 1999-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three-dimensional structure of the complex between a T cell receptor beta chain and the superantigen staphylococcal enterotoxin B. Immunity, 9, 1998
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1SK4
| crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha | Descriptor: | Peptidoglycan recognition protein I-alpha, SODIUM ION | Authors: | Guan, R, Malchiodi, E.L, Qian, W, Schuck, P, Mariuzza, R.A. | Deposit date: | 2004-03-04 | Release date: | 2004-07-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha J.Biol.Chem., 279, 2004
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1R1S
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1R1P
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1TWQ
| Crystal structure of the C-terminal PGN-binding domain of human PGRP-Ialpha in complex with PGN analog muramyl tripeptide | Descriptor: | N-acetyl-beta-muramic acid, NICKEL (II) ION, muramyl tripeptide, ... | Authors: | Guan, R, Roychowdury, A, Boons, G.-A, Mariuzza, R.A. | Deposit date: | 2004-07-01 | Release date: | 2004-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for peptidoglycan binding by peptidoglycan recognition proteins Proc.Natl.Acad.Sci.USA, 101, 2004
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1SK3
| Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha | Descriptor: | NICKEL (II) ION, Peptidoglycan recognition protein I-alpha, SULFATE ION | Authors: | Guan, R, Malchiodi, E.L, Qian, W, Schuck, P, Mariuzza, R.A. | Deposit date: | 2004-03-04 | Release date: | 2004-07-13 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha J.Biol.Chem., 279, 2004
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7R6J
| Co-crystal structure of Chaetomium glucosidase with compound 1 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-06-22 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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7REV
| Co-crystal structure of Chaetomium glucosidase with compound 3 | Descriptor: | (2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-07-13 | Release date: | 2022-08-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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3C8J
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7K9N
| Co-crystal structure of alpha glucosidase with compound 2 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7K9O
| Co-crystal structure of alpha glucosidase with compound 3 | Descriptor: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7K9T
| Co-crystal structure of alpha glucosidase with compound 5 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7K9Q
| Co-crystal structure of alpha glucosidase with compound 4 | Descriptor: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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