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4A1W
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BU of 4a1w by Molmil
Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL
分子名称: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1
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 (2.497 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
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
分子名称: CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin
著者Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
登録日2015-07-09
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2
著者Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
登録日2015-07-09
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
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
分子名称: Fusion glycoprotein F1
著者Outlaw, V.K, Gellman, S.H.
登録日2019-11-26
公開日2020-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献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
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Gellman, S.H.
登録日2019-07-10
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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
分子名称: Fusion glycoprotein F1, synthetic peptide derived from Fusion glycoprotein F1
著者Outlaw, V.K, Gellman, S.H.
登録日2019-07-30
公開日2020-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Gellman, S.H.
登録日2019-12-17
公開日2020-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
分子名称: Fusion glycoprotein F1, VIQKI D4(beta-L-homoaspartic acid) synthetic peptid derived from Fusion glycoprotein F1e
著者Outlaw, V.K, Gellman, S.H.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: Vascular endothelial growth factor A, alpha/beta-Peptide HH4
著者Thomas, N.C, Forest, K.T, Gellman, S.H.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
登録日2020-01-16
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: D-Melittin, Melittin, SULFATE ION
著者Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T.
登録日2019-02-28
公開日2019-05-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019
4GWV
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BU of 4gwv by Molmil
Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate
分子名称: CITRATE ANION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T.
登録日2012-09-03
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain.
Acta Crystallogr.,Sect.D, 69, 2013
4HJD
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BU of 4hjd by Molmil
GCN4pLI derivative with alpha/beta/acyclic-gamma amino acid substitution pattern
分子名称: GCN4pLI(alpha/beta/acyclic gamma)
著者Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H.
登録日2012-10-12
公開日2013-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water.
J.Am.Chem.Soc., 135, 2013
4HJB
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BU of 4hjb by Molmil
GCN4pLI derivative with alpha/beta/cyclic-gamma amino acid substitution pattern
分子名称: GCN4pLI(alpha/beta/cyclic-gamma)
著者Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H.
登録日2012-10-12
公開日2013-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water.
J.Am.Chem.Soc., 135, 2013
4GWT
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BU of 4gwt by Molmil
Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid
分子名称: (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T.
登録日2012-09-03
公開日2013-10-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain.
Acta Crystallogr.,Sect.D, 69, 2013
5VTK
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BU of 5vtk by Molmil
Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T.
登録日2017-05-17
公開日2018-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
5VTJ
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BU of 5vtj by Molmil
Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
著者Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T.
登録日2017-05-17
公開日2018-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
5VTI
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BU of 5vti by Molmil
Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T.
登録日2017-05-17
公開日2018-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
2N6H
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BU of 2n6h by Molmil
NMR structure for a 2-stranded parallel beta-sheet
分子名称: designed 2-stranded parallel beta-sheet
著者Kung, V.M, Cornilescu, G, Gellman, S.H.
登録日2015-08-20
公開日2015-10-28
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Impact of Strand Number on Parallel beta-Sheet Stability.
Angew.Chem.Int.Ed.Engl., 54, 2015
2N6I
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BU of 2n6i by Molmil
NMR structure for a 2-stranded parallel beta-sheet
分子名称: designed 2-stranded parallel beta-sheet
著者Kung, V.M, Cornilescu, G, Gellman, S.H.
登録日2015-08-20
公開日2015-10-28
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献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.
分子名称: ACETATE ION, hybrid alpha/beta peptide based on the GCN4-p1 sequence; heptad positions b and f substituted with beta-amino acids
著者Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
登録日2007-02-20
公開日2007-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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.
分子名称: FORMIC ACID, hybrid alpha/beta peptide based on the GCN4-pLI sequence; heptad positions b and f substituted with beta-amino acids
著者Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
登録日2007-02-20
公開日2007-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007
2N4N
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BU of 2n4n by Molmil
NMR structure for a 3-stranded parallel beta-sheet
分子名称: DESIGNED BETA SHEET
著者Kung, V.M, Cornilescu, G, Gellman, S.H.
登録日2015-06-24
公開日2015-10-28
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Impact of Strand Number on Parallel beta-Sheet Stability.
Angew.Chem.Int.Ed.Engl., 54, 2015
5I1P
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BU of 5i1p by Molmil
Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution
分子名称: D-Villin headpiece subdomain, ETHANOL, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1O
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BU of 5i1o by Molmil
Villin headpiece subdomain with a Gln26 to ACPC substitution
分子名称: D-Villin headpiece subdomain, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.348 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016

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