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8D51
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BU of 8d51 by Molmil
Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing beta-3-homotryptophan
Descriptor: 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
Authors:Yu, Z, Kreitler, D.F, Gellman, S.H.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
8D52
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BU of 8d52 by Molmil
Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine
Descriptor: 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
Authors:Yu, Z, Kreitler, D.F, Gellman, S.H.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
4WPB
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BU of 4wpb by Molmil
Vascular endothelial growth factor in complex with alpha/beta-VEGF-1
Descriptor: Vascular endothelial growth factor A, alpha/beta-VEGF-1
Authors:Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T.
Deposit date:2014-10-17
Release date:2015-04-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
2YJ1
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BU of 2yj1 by Molmil
Puma BH3 foldamer in complex with Bcl-xL
Descriptor: ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1
Authors:Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-05-18
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design
Chembiochem, 12, 2011
7TA3
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BU of 7ta3 by Molmil
Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by alpha-peptide-3
Descriptor: Alpha-peptide-3, Tumor necrosis factor
Authors:Niu, J, Bingman, C.A, Gellman, S.H.
Deposit date:2021-12-20
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
7TA6
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BU of 7ta6 by Molmil
Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1
Descriptor: 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ...
Authors:Niu, J, Bingman, C.A, Gellman, S.H.
Deposit date:2021-12-20
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
7UZO
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BU of 7uzo by Molmil
Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing one beta-amino acid
Descriptor: Parathyroid hormone/parathyroid hormone-related peptide receptor, Peptide from Parathyroid hormone-related protein, ZINC ION
Authors:Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H.
Deposit date:2022-05-09
Release date:2022-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UZP
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BU of 7uzp by Molmil
parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing three beta-amino acids
Descriptor: 1,2-ETHANEDIOL, PTHrP[1-36] 24,28,31 XCP, Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
Authors:Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H.
Deposit date:2022-05-09
Release date:2022-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RWB
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BU of 4rwb by Molmil
Racemic influenza M2-TM crystallized from monoolein lipidic cubic phase
Descriptor: Matrix protein 2, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
Deposit date:2014-12-02
Release date:2015-10-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RWC
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BU of 4rwc by Molmil
Racemic M2-TM crystallized from racemic detergent
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
Deposit date:2014-12-02
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
1JY9
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BU of 1jy9 by Molmil
MINIMIZED AVERAGE STRUCTURE OF DP-TT2
Descriptor: DP-TT2
Authors:Stanger, H.E, Syud, F.A, Espinosa, J.F, Giriat, I, Muir, T, Gellman, S.H.
Deposit date:2001-09-11
Release date:2001-09-19
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Length-dependent stability and strand length limits in antiparallel beta -sheet secondary structure.
Proc.Natl.Acad.Sci.USA, 98, 2001
6D3O
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BU of 6d3o by Molmil
Crystal Structure of Vascular Endothelial Growth Factor (VEGF8-109) with HH4, an alpha/beta-Peptide with Irregular Secondary Structure
Descriptor: HH4 alpha/beta-Peptide, Vascular endothelial growth factor A
Authors:Thomas, N.C, Forest, K.T, Gellman, S.H.
Deposit date:2018-04-16
Release date:2019-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:High-Resolution Structures for a Complex Between a Non-Helical Foldamer and VEGF
To Be Published
4MGP
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BU of 4mgp by Molmil
Structure of racemic Ala-(8,13,18) Magainin 2
Descriptor: Magainin 2 Derivative
Authors:Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T.
Deposit date:2013-08-28
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.
J.Am.Chem.Soc., 135, 2013
2JM0
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BU of 2jm0 by Molmil
Solution structure of chicken villin headpiece subdomain containing a fluorinated side chain in the core
Descriptor: Villin-1
Authors:Cornilescu, C.C, Cornilescu, G, Hadley, E.B, Gellman, S.H, Markley, J.L.
Deposit date:2006-09-06
Release date:2006-10-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure of a small protein containing a fluorinated side chain in the core.
Protein Sci., 16, 2007
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
7S1M
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BU of 7s1m by Molmil
Ex4-D-Ala bound to the glucagon-like peptide-1 receptor/g protein complex (conformer 1)
Descriptor: Ex4-D-Ala, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cary, B.P, Gellman, S.H.
Deposit date:2021-09-02
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural and functional diversity among agonist-bound states of the GLP-1 receptor.
Nat.Chem.Biol., 18, 2022
6V3V
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BU of 6v3v by Molmil
Assembly of VIQKI I456(beta-L-homoisoleucine)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
Descriptor: Fusion glycoprotein F1
Authors:Outlaw, V.K, Gellman, S.H.
Deposit date:2019-11-26
Release date:2020-10-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
6VAS
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BU of 6vas by Molmil
Assembly of VIQKI I454(beta-L-homoisoleucine)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
Descriptor: Fusion glycoprotein F0
Authors:Outlaw, V.K, Gellman, S.H.
Deposit date:2019-12-17
Release date:2020-10-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
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
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
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
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
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:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007
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:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007

 

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