4YXX
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4YXZ
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4YY5
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4YY2
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6YB1
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![BU of 6yb1 by Molmil](/molmil-images/mine/6yb1) | Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc | Descriptor: | GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL | Authors: | Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F. | Deposit date: | 2020-03-15 | Release date: | 2021-04-07 | Last modified: | 2021-07-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Constructing ion channels from water-soluble alpha-helical barrels. Nat.Chem., 13, 2021
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6HSV
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![BU of 6hsv by Molmil](/molmil-images/mine/6hsv) | Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E. | Deposit date: | 2018-10-01 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages. J.Am.Chem.Soc., 141, 2019
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1J4M
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![BU of 1j4m by Molmil](/molmil-images/mine/1j4m) | Minimized average structure of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12) | Descriptor: | MBH12 | Authors: | Pastor, M.T, Lopez de la Paz, M, Lacroix, E, Serrano, L, Perez-Paya, E. | Deposit date: | 2001-10-10 | Release date: | 2001-10-17 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides. Proc.Natl.Acad.Sci.USA, 99, 2002
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4B72
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![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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1K43
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![BU of 1k43 by Molmil](/molmil-images/mine/1k43) | 10 Structure Ensemble of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12) | Descriptor: | MBH12 | Authors: | Pastor, M.T, Lopez de la Paz, M, Lacroix, E, Serrano, L, Perez-Paya, E. | Deposit date: | 2001-10-05 | Release date: | 2001-10-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides. Proc.Natl.Acad.Sci.USA, 99, 2002
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4B70
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![BU of 4b70 by Molmil](/molmil-images/mine/4b70) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B77
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![BU of 4b77 by Molmil](/molmil-images/mine/4b77) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B78
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![BU of 4b78 by Molmil](/molmil-images/mine/4b78) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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6C2V
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![BU of 6c2v by Molmil](/molmil-images/mine/6c2v) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7BO9
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7BO8
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![BU of 7bo8 by Molmil](/molmil-images/mine/7bo8) | A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F. | Descriptor: | 1,2-ETHANEDIOL, CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F, OXAMIC ACID | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-01-24 | Release date: | 2021-05-19 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues. Biomacromolecules, 22, 2021
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7BOA
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6C2U
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![BU of 6c2u by Molmil](/molmil-images/mine/6c2u) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7ARS
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![BU of 7ars by Molmil](/molmil-images/mine/7ars) | The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine) | Descriptor: | MAGNESIUM ION, alpha/beta-peptide, trifluoroacetic acid | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | Deposit date: | 2020-10-26 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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7ARR
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![BU of 7arr by Molmil](/molmil-images/mine/7arr) | The de novo designed hybrid alpha/beta-miniprotein | Descriptor: | CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ... | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | Deposit date: | 2020-10-26 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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5CWF
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