7RNO
| Model of the Ac-6-FP/hpMR1/bB2m/TAPBPR complex from integrated docking, NMR and restrained MD | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ... | Authors: | McShan, A.C, Sgourakis, N.G. | Deposit date: | 2021-07-29 | Release date: | 2022-05-11 | Last modified: | 2022-08-10 | Method: | SOLUTION NMR | Cite: | TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules. Nat.Chem.Biol., 18, 2022
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8VL4
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8VL3
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8T62
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8T61
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8T63
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6NPR
| Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10 | Descriptor: | ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Toor, J, McShan, A.C, Tripathi, S.M, Sgourakis, N.G. | Deposit date: | 2019-01-18 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection. Proc.Natl.Acad.Sci.USA, 116, 2019
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8TB1
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8TV4
| NMR structure of temporin L in solution | Descriptor: | Temporin-1Tl peptide | Authors: | McShan, A.C, Jia, R, Halim, M.A. | Deposit date: | 2023-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Antiviral peptides inhibiting the main protease of SARS-CoV-2 investigated by computational screening and in vitro protease assay. J.Pept.Sci., 30, 2024
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8TXS
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6MPP
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9BVV
| NMR structure of TLP-3 in solution | Descriptor: | Temporin-1Tl | Authors: | Jia, R, McShan, A.C. | Deposit date: | 2024-05-20 | Release date: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2 To Be Published
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9BVU
| NMR structure of TLP-2 in solution | Descriptor: | Temporin-1Tl | Authors: | Jia, R, McShan, A.C. | Deposit date: | 2024-05-20 | Release date: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2 To Be Published
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9BVS
| NMR structure of TLP-1 in solution | Descriptor: | Temporin-1Tl | Authors: | Jia, R, McShan, A.C. | Deposit date: | 2024-05-20 | Release date: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2 To Be Published
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9BHN
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6OSW
| An order-to-disorder structural switch activates the FoxM1 transcription factor | Descriptor: | Forkhead box M1 | Authors: | Marceau, A.H, Rubin, S.M, Nerli, S, McShane, A.C, Sgourakis, N.G. | Deposit date: | 2019-05-02 | Release date: | 2019-05-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An order-to-disorder structural switch activates the FoxM1 transcription factor. Elife, 8, 2019
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6B9K
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5VZ5
| Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G. | Deposit date: | 2017-05-26 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5901 Å) | Cite: | A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations. Front Immunol, 9, 2018
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6E5C
| Solution NMR structure of a de novo designed double-stranded beta-helix | Descriptor: | De novo beta protein | Authors: | Marcos, E, Chidyausiku, T.M, McShan, A, Evangelidis, T, Nerli, S, Sgourakis, N, Tripsianes, K, Baker, D. | Deposit date: | 2018-07-19 | Release date: | 2018-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | De novo design of a non-local beta-sheet protein with high stability and accuracy. Nat. Struct. Mol. Biol., 25, 2018
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5TXS
| Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-15 alpha chain, ... | Authors: | Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G. | Deposit date: | 2016-11-17 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations. Front Immunol, 9, 2018
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6NAF
| De novo designed homo-trimeric amantadine-binding protein | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | Authors: | Selvaraj, B, Park, J, Cuneo, M.J, Myles, D.A.A, Baker, D. | Deposit date: | 2018-12-05 | Release date: | 2019-12-18 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.923 Å), X-RAY DIFFRACTION | Cite: | De novo design of a homo-trimeric amantadine-binding protein. Elife, 8, 2019
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6N9H
| De novo designed homo-trimeric amantadine-binding protein | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | Authors: | Park, J, Baker, D. | Deposit date: | 2018-12-03 | Release date: | 2019-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.039 Å) | Cite: | De novo design of a homo-trimeric amantadine-binding protein. Elife, 8, 2019
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6O0I
| NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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6NY8
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6NYE
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