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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:2023-11-15
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
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:2023-11-15
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
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:2023-11-15
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
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:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
Descriptor: GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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
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
Descriptor: alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (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
5VTK
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BU of 5vtk by Molmil
Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
Authors:Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
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
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
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
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
5I1P
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BU of 5i1p by Molmil
Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution
Descriptor: D-Villin headpiece subdomain, ETHANOL, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: D-Villin headpiece subdomain, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.348 Å)
Cite: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
5I1S
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BU of 5i1s by Molmil
Villin headpiece subdomain with a Lys30 to APC substitution
Descriptor: D-Villin headpiece subdomain, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite: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
5I1N
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BU of 5i1n by Molmil
Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution
Descriptor: D-Villin headpiece subdomain, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
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
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
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: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:2023-11-15
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:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007

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