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PDB: 92 results

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:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure of a small protein containing a fluorinated side chain in the core.
Protein Sci., 16, 2007
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
Descriptor: HH4 alpha/beta-Peptide, Vascular endothelial growth factor A
Authors:Thomas, N.C, Forest, K.T, Gellman, S.H.
Deposit date:2018-04-16
Release date:2019-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:High-Resolution Structures for a Complex Between a Non-Helical Foldamer and VEGF
To Be Published
4BPJ
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BU of 4bpj by Molmil
Mcl-1 bound to alpha beta Puma BH3 peptide 3
Descriptor: ALPHA BETA BH3-PEPTIDE, CHLORIDE 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 (1.599 Å)
Cite:Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins.
Chembiochem, 14, 2013
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
4BPK
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BU of 4bpk by Molmil
Bcl-xL bound to alpha beta Puma BH3 peptide 5
Descriptor: 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ...
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 (1.756 Å)
Cite: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
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1
Authors: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.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite: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
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ...
Authors: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.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
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
Descriptor: GLYCEROL, alpha/beta-peptide derived from gp41 CHR domain sequence, gp41-5
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, alpha/beta-peptide based on HIV gp41 CHR domain sequence, ...
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
1JY9
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BU of 1jy9 by Molmil
MINIMIZED AVERAGE STRUCTURE OF DP-TT2
Descriptor: DP-TT2
Authors:Stanger, H.E, Syud, F.A, Espinosa, J.F, Giriat, I, Muir, T, Gellman, S.H.
Deposit date:2001-09-11
Release date:2001-09-19
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Length-dependent stability and strand length limits in antiparallel beta -sheet secondary structure.
Proc.Natl.Acad.Sci.USA, 98, 2001
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
Descriptor: Envelope glycoprotein gp160, GLYCEROL, chimeric alpha/beta peptide based on gp41 CHR domain sequence
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, gp41-5
Authors:Horne, W.S, Johnson, L.M, Gellman, S.H.
Deposit date:2010-07-26
Release date:2011-07-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
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
2N6H
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BU of 2n6h by Molmil
NMR structure for a 2-stranded parallel beta-sheet
Descriptor: designed 2-stranded parallel beta-sheet
Authors:Kung, V.M, Cornilescu, G, Gellman, S.H.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-10-09
Method:SOLUTION NMR
Cite: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
Descriptor: designed 2-stranded parallel beta-sheet
Authors:Kung, V.M, Cornilescu, G, Gellman, S.H.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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.
Descriptor: ACETATE ION, hybrid alpha/beta peptide based on the GCN4-p1 sequence; heptad positions b and f substituted with beta-amino acids
Authors:Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
Deposit date:2007-02-20
Release date:2007-03-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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.
Descriptor: FORMIC ACID, hybrid alpha/beta peptide based on the GCN4-pLI sequence; heptad positions b and f substituted with beta-amino acids
Authors:Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
Deposit date:2007-02-20
Release date:2007-03-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: DESIGNED BETA SHEET
Authors:Kung, V.M, Cornilescu, G, Gellman, S.H.
Deposit date:2015-06-24
Release date:2015-10-28
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Impact of Strand Number on Parallel beta-Sheet Stability.
Angew.Chem.Int.Ed.Engl., 54, 2015
6MPL
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BU of 6mpl by Molmil
Racemic M2-TM I39A crystallized from racemic detergent
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Phenol-soluble modulin PSM-alpha-3
Authors:Yao, Z, Cary, B.P, Bingman, C.A, Wang, C, Kreitler, D.F, Satyshur, K.A, Forest, K.T, Gellman, S.H.
Deposit date:2018-12-31
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: Fusion glycoprotein F0
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2019-01-30
Release date:2019-07-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Human parainfluenza virus type 3 fusion glycoprotein C-terminal heptad repeat domain, ...
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2019-01-23
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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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