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4HJB
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BU of 4hjb by Molmil
GCN4pLI derivative with alpha/beta/cyclic-gamma amino acid substitution pattern
Descriptor: GCN4pLI(alpha/beta/cyclic-gamma)
Authors:Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H.
Deposit date:2012-10-12
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water.
J.Am.Chem.Soc., 135, 2013
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
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
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
3TJW
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BU of 3tjw by Molmil
Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution
Descriptor: D-Villin-1, L-Villin-1, SULFATE ION
Authors:Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
Deposit date:2011-08-25
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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
Descriptor: D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ...
Authors:Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
Deposit date:2011-09-11
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor: D-Villin-1, SULFATE ION
Authors:Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
Deposit date:2011-09-11
Release date:2012-01-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
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
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
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
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
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
3O3Y
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BU of 3o3y by Molmil
A chimeric alpha+alpha/beta peptide based on the CHR domain sequence of gp41
Descriptor: CHLORIDE ION, chimeric alpha+alpha/beta peptide based on the CHR domain sequence of gp41
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 (1.35 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
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
3P0G
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BU of 3p0g by Molmil
Structure of a nanobody-stabilized active state of the beta2 adrenoceptor
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor, Lysozyme, ...
Authors:Rasmussen, S.G.F, Choi, H.-J, Fung, J.J, Pardon, E, Casarosa, P, Chae, P.S, DeVree, B.T, Rosenbaum, D.M, Thian, F.S, Kobilka, T.S, Schnapp, A, Konetzki, I, Sunahara, R.K, Gellman, S.H, Pautsch, A, Steyaert, J, Weis, W.I, Kobilka, B.K.
Deposit date:2010-09-28
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a nanobody-stabilized active state of the b2 adrenoceptor
Nature, 469, 2011
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
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:2023-10-11
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
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
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
6NYX
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BU of 6nyx by Molmil
Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VI
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2019-02-12
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019
6O40
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BU of 6o40 by Molmil
Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VIQKI I454F I456F
Descriptor: Fusion glycoprotein F0
Authors:Outlaw, V.K, Gellman, S.H.
Deposit date:2019-02-27
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Guided Improvement of a Dual HPIV3/RSV Fusion Inhibitor.
J.Am.Chem.Soc., 142, 2020

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