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PDB: 92 results

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
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
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
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
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
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
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
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
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
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
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:2024-10-16
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
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
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
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
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
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
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
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
6O4M
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BU of 6o4m by Molmil
Racemic melittin
Descriptor: D-Melittin, Melittin, SULFATE ION
Authors:Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T.
Deposit date:2019-02-28
Release date:2019-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019

 

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數據於2024-10-30公開中

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