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6X45
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BU of 6x45 by Molmil
SARS-CoV2 spike glycoprotein N-terminal heptad repeat domain + SARS-CoV2(QEYKKEKE)
分子名称: Spike protein S2'
著者Kreitler, D.F, Outlaw, V.K, Gellman, S.H.
登録日2020-05-22
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Engineered peptides potently block entry of SARS-CoV-2 into human airway cells
To Be Published
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
分子名称: 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
著者Yu, Z, Kreitler, D.F, Gellman, S.H.
登録日2022-06-03
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
8D52
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Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine
分子名称: 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
著者Yu, Z, Kreitler, D.F, Gellman, S.H.
登録日2022-06-03
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
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
分子名称: alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
著者Horne, W.S, Price, J.L, Gellman, S.H.
登録日2008-01-28
公開日2008-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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
分子名称: GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
著者Horne, W.S, Price, J.L, Gellman, S.H.
登録日2008-01-28
公開日2008-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4WPB
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BU of 4wpb by Molmil
Vascular endothelial growth factor in complex with alpha/beta-VEGF-1
分子名称: Vascular endothelial growth factor A, alpha/beta-VEGF-1
著者Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T.
登録日2014-10-17
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
3TJW
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BU of 3tjw by Molmil
Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution
分子名称: D-Villin-1, L-Villin-1, SULFATE ION
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-08-25
公開日2012-01-25
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TRV
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BU of 3trv by Molmil
Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution
分子名称: D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ...
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TRY
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BU of 3try by Molmil
Crystal structure of racemic villin headpiece subdomain in space group I-4c2
分子名称: D-Villin-1, SULFATE ION
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
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
分子名称: Villin-1
著者Cornilescu, C.C, Cornilescu, G, Hadley, E.B, Gellman, S.H, Markley, J.L.
登録日2006-09-06
公開日2006-10-17
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution structure of a small protein containing a fluorinated side chain in the core.
Protein Sci., 16, 2007
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)
分子名称: Ex4-D-Ala, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cary, B.P, Gellman, S.H.
登録日2021-09-02
公開日2022-01-05
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Structural and functional diversity among agonist-bound states of the GLP-1 receptor.
Nat.Chem.Biol., 18, 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
分子名称: Alpha-peptide-3, Tumor necrosis factor
著者Niu, J, Bingman, C.A, Gellman, S.H.
登録日2021-12-20
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ...
著者Niu, J, Bingman, C.A, Gellman, S.H.
登録日2021-12-20
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 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
分子名称: 1,2-ETHANEDIOL, PTHrP[1-36] 24,28,31 XCP, Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
著者Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H.
登録日2022-05-09
公開日2022-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献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
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
分子名称: Parathyroid hormone/parathyroid hormone-related peptide receptor, Peptide from Parathyroid hormone-related protein, ZINC ION
著者Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H.
登録日2022-05-09
公開日2022-10-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
5AGX
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BU of 5agx by Molmil
Bcl-2 alpha beta-1 LINEAR complex
分子名称: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11
著者Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D.
登録日2015-02-04
公開日2015-09-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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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Bcl-2 alpha beta-1 complex
分子名称: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11
著者Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D.
登録日2015-02-04
公開日2015-09-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
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
分子名称: Matrix protein 2, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
著者Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
登録日2014-12-02
公開日2015-10-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RWC
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Racemic M2-TM crystallized from racemic detergent
分子名称: Matrix protein 2, octyl beta-D-glucopyranoside
著者Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
登録日2014-12-02
公開日2015-10-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
分子名称: HH4 alpha/beta-Peptide, Vascular endothelial growth factor A
著者Thomas, N.C, Forest, K.T, Gellman, S.H.
登録日2018-04-16
公開日2019-04-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献High-Resolution Structures for a Complex Between a Non-Helical Foldamer and VEGF
To Be Published
1JY9
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BU of 1jy9 by Molmil
MINIMIZED AVERAGE STRUCTURE OF DP-TT2
分子名称: DP-TT2
著者Stanger, H.E, Syud, F.A, Espinosa, J.F, Giriat, I, Muir, T, Gellman, S.H.
登録日2001-09-11
公開日2001-09-19
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Length-dependent stability and strand length limits in antiparallel beta -sheet secondary structure.
Proc.Natl.Acad.Sci.USA, 98, 2001
2YJ1
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Puma BH3 foldamer in complex with Bcl-xL
分子名称: ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1
著者Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D.
登録日2011-05-18
公開日2011-10-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design
Chembiochem, 12, 2011
4MGP
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BU of 4mgp by Molmil
Structure of racemic Ala-(8,13,18) Magainin 2
分子名称: Magainin 2 Derivative
著者Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T.
登録日2013-08-28
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.
J.Am.Chem.Soc., 135, 2013
3C3H
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alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (alpha-alpha-beta) backbone and cyclic beta residues
分子名称: 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, ...
著者Horne, W.S, Price, J.L, Gellman, S.H.
登録日2008-01-28
公開日2008-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4A1U
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BU of 4a1u by Molmil
Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
分子名称: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ...
著者Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
登録日2011-09-20
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012

 

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