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6V7K
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BU of 6v7k by Molmil
Crystal Structure of Vascular Endothelial Growth Factor (VEGF8-109) with one copy of HH4, an alpha/beta-Peptide with Irregular Secondary Structure
Descriptor: Vascular endothelial growth factor A, alpha/beta-Peptide HH4
Authors:Thomas, N.C, Forest, K.T, Gellman, S.H.
Deposit date:2019-12-08
Release date:2020-12-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Resolution Structure for a Complex Between One Copy of a Non-Helical Foldamer and VEGF
to be published
3C3H
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BU of 3c3h by Molmil
alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (alpha-alpha-beta) backbone and cyclic beta residues
Descriptor: alpha/beta-peptide based on the GCN4-pLI side chain sequence, with an (alpha-alpha-beta) backbone and cyclic beta-residues at positions 1, 4, ...
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6VJO
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BU of 6vjo by Molmil
Human parainfluenza virus type 3 fusion glycoprotein N-terminal heptad repeat domain+alpha/beta-VI
Descriptor: Fusion glycoprotein F0
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2020-01-16
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering Protease-Resistant Peptides to Inhibit Human Parainfluenza Viral Respiratory Infection.
J.Am.Chem.Soc., 143, 2021
6X45
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BU of 6x45 by Molmil
SARS-CoV2 spike glycoprotein N-terminal heptad repeat domain + SARS-CoV2(QEYKKEKE)
Descriptor: Spike protein S2'
Authors:Kreitler, D.F, Outlaw, V.K, Gellman, S.H.
Deposit date:2020-05-22
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineered peptides potently block entry of SARS-CoV-2 into human airway cells
To Be Published
3C3G
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BU of 3c3g by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Descriptor: GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C3F
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BU of 3c3f by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Descriptor: alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5CGN
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BU of 5cgn by Molmil
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8
Descriptor: CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin
Authors:Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
Deposit date:2015-07-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
5CGO
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BU of 5cgo by Molmil
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13
Descriptor: ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2
Authors:Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
Deposit date:2015-07-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
5AGX
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BU of 5agx by Molmil
Bcl-2 alpha beta-1 LINEAR complex
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11
Authors:Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D.
Deposit date:2015-02-04
Release date:2015-09-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
5AGW
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BU of 5agw by Molmil
Bcl-2 alpha beta-1 complex
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11
Authors:Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D.
Deposit date:2015-02-04
Release date:2015-09-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
2N4N
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BU of 2n4n by Molmil
NMR structure for a 3-stranded parallel beta-sheet
Descriptor: DESIGNED BETA SHEET
Authors:Kung, V.M, Cornilescu, G, Gellman, S.H.
Deposit date:2015-06-24
Release date:2015-10-28
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Impact of Strand Number on Parallel beta-Sheet Stability.
Angew.Chem.Int.Ed.Engl., 54, 2015
2N6H
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BU of 2n6h by Molmil
NMR structure for a 2-stranded parallel beta-sheet
Descriptor: designed 2-stranded parallel beta-sheet
Authors:Kung, V.M, Cornilescu, G, Gellman, S.H.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Impact of Strand Number on Parallel beta-Sheet Stability.
Angew.Chem.Int.Ed.Engl., 54, 2015
2OXK
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BU of 2oxk by Molmil
Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers: GCN4-pLI with beta-residues at b and f heptad positions.
Descriptor: FORMIC ACID, hybrid alpha/beta peptide based on the GCN4-pLI sequence; heptad positions b and f substituted with beta-amino acids
Authors:Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
Deposit date:2007-02-20
Release date:2007-03-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007
2OXJ
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BU of 2oxj by Molmil
Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers: GCN4-p1 with beta-residues at b and f heptad positions.
Descriptor: ACETATE ION, hybrid alpha/beta peptide based on the GCN4-p1 sequence; heptad positions b and f substituted with beta-amino acids
Authors:Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
Deposit date:2007-02-20
Release date:2007-03-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007
2N6I
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BU of 2n6i by Molmil
NMR structure for a 2-stranded parallel beta-sheet
Descriptor: designed 2-stranded parallel beta-sheet
Authors:Kung, V.M, Cornilescu, G, Gellman, S.H.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Impact of Strand Number on Parallel beta-Sheet Stability.
Angew.Chem.Int.Ed.Engl., 54, 2015
3O43
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BU of 3o43 by Molmil
Complex of an alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
Descriptor: GLYCEROL, alpha/beta-peptide derived from gp41 CHR domain sequence, gp41-5
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
3O40
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BU of 3o40 by Molmil
Complex of a chimeric alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
Descriptor: CHLORIDE ION, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
3O42
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BU of 3o42 by Molmil
Complex of an alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, alpha/beta-peptide based on HIV gp41 CHR domain sequence, ...
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chimeric and Non-Chimeric Foldamer Mimics of the CHR Segment of HIV Protein gp41: Evidence for the Importance of a Large Binding Interface in Six-Helix Bundle Formation
To be Published
3O3Z
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BU of 3o3z by Molmil
Complex of a chimeric alpha/beta-peptide based on the gp41 CHR domain bound to a gp41 NHR domain peptide
Descriptor: Envelope glycoprotein gp160, GLYCEROL, chimeric alpha/beta peptide based on gp41 CHR domain sequence
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
3O3X
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BU of 3o3x by Molmil
Crystal structure of gp41-5, a single-chain 5-helix-bundle based on HIV gp41
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, gp41-5
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
6MPL
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BU of 6mpl by Molmil
Racemic M2-TM I39A crystallized from racemic detergent
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
3O3Y
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BU of 3o3y by Molmil
A chimeric alpha+alpha/beta peptide based on the CHR domain sequence of gp41
Descriptor: CHLORIDE ION, chimeric alpha+alpha/beta peptide based on the CHR domain sequence of gp41
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Chimeric and Non-Chimeric Foldamer Mimics of the CHR Segment of HIV Protein gp41: Evidence for the Importance of a Large Binding Interface in Six-Helix Bundle Formation
To be Published
6MPN
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BU of 6mpn by Molmil
Racemic M2-TM I42E crystallized from racemic detergent
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPM
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BU of 6mpm by Molmil
Racemic M2-TM I42A crystallized from racemic detergent
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6NTX
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BU of 6ntx by Molmil
Respiratory syncytial virus fusion protein N-terminal heptad repeat domain+VIQKI
Descriptor: Fusion glycoprotein F0
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2019-01-30
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019

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