6YX0
 
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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6YX2
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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7A00
 | | Crystal structure of Shank1 PDZ in complex with L6F mutant of the C-terminal hexapeptide from GKAP | | Descriptor: | L6F mutant of C-terminal hexapeptide from Guanylate kinase-associated protein, SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Zsofia, H, Hetherington, K, Fruzsina, H, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-08-05 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Query-guided protein-protein interaction inhibitor discovery.
Chem Sci, 12, 2021
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6YX1
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ... | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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8S1R
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6YWZ
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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6CPI
 | | Solution structure of SH3 domain from Shank1 | | Descriptor: | SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Ishida, H, Vogel, H.J. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels.
FEBS Lett., 592, 2018
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