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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
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
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
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
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
4HJD
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BU of 4hjd by Molmil
GCN4pLI derivative with alpha/beta/acyclic-gamma amino acid substitution pattern
Descriptor: GCN4pLI(alpha/beta/acyclic 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 (1.7 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
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
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
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
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
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
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
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
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

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