4GWT
| Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid | Descriptor: | (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | Deposit date: | 2012-09-03 | Release date: | 2013-10-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
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8D52
| Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | Authors: | Yu, Z, Kreitler, D.F, Gellman, S.H. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification. Angew.Chem.Int.Ed.Engl., 62, 2023
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8D51
| Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing beta-3-homotryptophan | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | Authors: | Yu, Z, Kreitler, D.F, Gellman, S.H. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification. Angew.Chem.Int.Ed.Engl., 62, 2023
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4WPB
| Vascular endothelial growth factor in complex with alpha/beta-VEGF-1 | Descriptor: | Vascular endothelial growth factor A, alpha/beta-VEGF-1 | Authors: | Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T. | Deposit date: | 2014-10-17 | Release date: | 2015-04-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold. Proc.Natl.Acad.Sci.USA, 112, 2015
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7S1M
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2JM0
| 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
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5I1N
| 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
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5VTJ
| 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
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5VTI
| 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
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4A1U
| 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
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4A1W
| 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
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7TA6
| Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | Deposit date: | 2021-12-20 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling. J.Am.Chem.Soc., 144, 2022
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7TA3
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7UZO
| Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing one beta-amino acid | Descriptor: | Parathyroid hormone/parathyroid hormone-related peptide receptor, Peptide from Parathyroid hormone-related protein, ZINC ION | Authors: | Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H. | Deposit date: | 2022-05-09 | Release date: | 2022-10-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UZP
| parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing three beta-amino acids | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36] 24,28,31 XCP, Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | Authors: | Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H. | Deposit date: | 2022-05-09 | Release date: | 2022-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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5I1P
| 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
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5I1O
| 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
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5I1S
| 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
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6D3O
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1JY9
| 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
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5VTK
| 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
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4MGP
| 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
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6O4M
| Racemic melittin | Descriptor: | D-Melittin, Melittin, SULFATE ION | Authors: | Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2019-02-28 | Release date: | 2019-05-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Retention of Native Quaternary Structure in Racemic Melittin Crystals. J.Am.Chem.Soc., 141, 2019
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2YJ1
| Puma BH3 foldamer in complex with Bcl-xL | Descriptor: | ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1 | Authors: | Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2011-05-18 | Release date: | 2011-10-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design Chembiochem, 12, 2011
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6PRL
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