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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:2024-11-13
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
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
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
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
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:2024-07-10
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
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:2024-11-20
Method:SOLUTION NMR
Cite:Solution structure of a small protein containing a fluorinated side chain in the core.
Protein Sci., 16, 2007
3F4Y
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BU of 3f4y by Molmil
HIV gp41 six-helix bundle containing a mutant CHR alpha-peptide sequence
Descriptor: Envelope glycoprotein gp160, Mutant peptide derived from HIV gp41 CHR domain
Authors:Horne, W.S, Gellman, S.H.
Deposit date:2008-11-03
Release date:2009-09-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biological mimicry of protein surface recognition by alpha/beta-peptide foldamers
Proc.Natl.Acad.Sci.USA, 106, 2009
3FDM
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BU of 3fdm by Molmil
alpha/beta foldamer in complex with Bcl-xL
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator Bcl-X, alpha/beta-peptide foldamer
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M, Sadowsky, J.D, Peterson-Kaufman, K.J, Gellman, S.H.
Deposit date:2008-11-26
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L)
Angew.Chem.Int.Ed.Engl., 48, 2009
3F86
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BU of 3f86 by Molmil
An alpha/beta-Peptide Helix Bundle with a Pure beta-Amino Acid Core and a Distinctive Quaternary Structure: GCN4pLI derivative with beta residues at a and d heptad positions
Descriptor: GCN4pLI-betaAD
Authors:Giuliano, M.W, Horne, W.S, Gellman, S.H.
Deposit date:2008-11-11
Release date:2009-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:An alpha/beta-peptide helix bundle with a pure beta3-amino acid core and a distinctive quaternary structure.
J.Am.Chem.Soc., 131, 2009
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:2024-05-15
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
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:2024-10-09
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
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:2025-02-12
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
6PRL
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BU of 6prl by Molmil
Assembly of VIQKI P5(beta-L-homoproline) 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:2019-07-10
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 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
6PYQ
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BU of 6pyq by Molmil
Assembly of VIQKI D455(beta-L-homoaspartic acid)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
Descriptor: Fusion glycoprotein F1, synthetic peptide derived from Fusion glycoprotein F1
Authors:Outlaw, V.K, Gellman, S.H.
Deposit date:2019-07-30
Release date:2020-08-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.79 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
6PZ6
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BU of 6pz6 by Molmil
Co-assembly of VIQKI D452(beta-L-homoaspartic acid) with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
Descriptor: Fusion glycoprotein F1, VIQKI D4(beta-L-homoaspartic acid) synthetic peptid derived from Fusion glycoprotein F1e
Authors:Outlaw, V.K, Gellman, S.H.
Deposit date:2019-07-31
Release date:2020-08-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.7 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
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
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:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineered peptides potently block entry of SARS-CoV-2 into human airway cells
To Be Published
4DZU
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BU of 4dzu by Molmil
Complex of 3-alpha bound to gp41-5
Descriptor: 3-alpha, GLYCEROL, gp41-5
Authors:Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
Deposit date:2012-03-01
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array.
J.Am.Chem.Soc., 134, 2012
4DZV
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BU of 4dzv by Molmil
Complex of 4-alpha/beta bound to gp41-5
Descriptor: 4-alpha/beta, GLYCEROL, gp41-5
Authors:Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
Deposit date:2012-03-01
Release date:2012-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array.
J.Am.Chem.Soc., 134, 2012
4BPI
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BU of 4bpi by Molmil
Mcl-1 bound to alpha beta Puma BH3 peptide 2
Descriptor: ALPHA BETA BH3PEPTIDE, CADMIUM ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG
Authors:Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D.
Deposit date:2013-05-27
Release date:2014-04-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins.
Chembiochem, 14, 2013

 

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