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4BPK
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BU of 4bpk by Molmil
Bcl-xL bound to alpha beta Puma BH3 peptide 5
分子名称: 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ...
著者Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D.
登録日2013-05-27
公開日2014-04-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins.
Chembiochem, 14, 2013
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
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
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
4DZU
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BU of 4dzu by Molmil
Complex of 3-alpha bound to gp41-5
分子名称: 3-alpha, GLYCEROL, gp41-5
著者Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
登録日2012-03-01
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 4-alpha/beta, GLYCEROL, gp41-5
著者Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
登録日2012-03-01
公開日2012-05-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
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2024-10-09
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
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2024-10-09
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2024-07-10
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2024-07-10
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
3O43
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BU of 3o43 by Molmil
Complex of an alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
分子名称: GLYCEROL, alpha/beta-peptide derived from gp41 CHR domain sequence, gp41-5
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
3O40
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BU of 3o40 by Molmil
Complex of a chimeric alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
分子名称: CHLORIDE ION, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
3O42
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BU of 3o42 by Molmil
Complex of an alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, alpha/beta-peptide based on HIV gp41 CHR domain sequence, ...
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chimeric and Non-Chimeric Foldamer Mimics of the CHR Segment of HIV Protein gp41: Evidence for the Importance of a Large Binding Interface in Six-Helix Bundle Formation
To be Published
3O3Z
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BU of 3o3z by Molmil
Complex of a chimeric alpha/beta-peptide based on the gp41 CHR domain bound to a gp41 NHR domain peptide
分子名称: Envelope glycoprotein gp160, GLYCEROL, chimeric alpha/beta peptide based on gp41 CHR domain sequence
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
3O3X
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BU of 3o3x by Molmil
Crystal structure of gp41-5, a single-chain 5-helix-bundle based on HIV gp41
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, gp41-5
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-07-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
6MPL
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BU of 6mpl by Molmil
Racemic M2-TM I39A crystallized from racemic detergent
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Matrix protein 2, octyl beta-D-glucopyranoside
著者Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
登録日2018-10-07
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPN
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BU of 6mpn by Molmil
Racemic M2-TM I42E crystallized from racemic detergent
分子名称: Matrix protein 2, octyl beta-D-glucopyranoside
著者Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
登録日2018-10-07
公開日2019-01-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPM
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BU of 6mpm by Molmil
Racemic M2-TM I42A crystallized from racemic detergent
分子名称: Matrix protein 2, octyl beta-D-glucopyranoside
著者Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
登録日2018-10-07
公開日2019-01-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6NIV
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BU of 6niv by Molmil
Racemic Phenol-Soluble Modulin Alpha 3 Peptide
分子名称: Phenol-soluble modulin PSM-alpha-3
著者Yao, Z, Cary, B.P, Bingman, C.A, Wang, C, Kreitler, D.F, Satyshur, K.A, Forest, K.T, Gellman, S.H.
登録日2018-12-31
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Use of a Stereochemical Strategy To Probe the Mechanism of Phenol-Soluble Modulin alpha 3 Toxicity.
J.Am.Chem.Soc., 141, 2019
6NTX
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BU of 6ntx by Molmil
Respiratory syncytial virus fusion protein N-terminal heptad repeat domain+VIQKI
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
登録日2019-01-30
公開日2019-07-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019
6NRO
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BU of 6nro by Molmil
Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VIQKI
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Human parainfluenza virus type 3 fusion glycoprotein C-terminal heptad repeat domain, ...
著者Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
登録日2019-01-23
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019

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