1U7J
 
 | | Solution structure of a diiron protein model | | Descriptor: | Four-helix bundle model, ZINC ION | | Authors: | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | | Deposit date: | 2004-08-04 | | Release date: | 2005-03-01 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
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1U7M
 | | Solution structure of a diiron protein model: Due Ferri(II) turn mutant | | Descriptor: | Four-helix bundle model, ZINC ION | | Authors: | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | | Deposit date: | 2004-08-04 | | Release date: | 2005-03-01 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
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6D02
 | | Cross-alpha Amyloid-like Structure alphaAmL, 2nd form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ... | | Authors: | Zhang, S.-Q, Liu, L, Degrado, W.F. | | Deposit date: | 2018-04-10 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
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3AL1
 | | DESIGNED PEPTIDE ALPHA-1, RACEMIC P1BAR FORM | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOLAMINE, PROTEIN (D, ... | | Authors: | Patterson, W.R, Anderson, D.H, Degrado, W.F, Cascio, D, Eisenberg, D. | | Deposit date: | 1998-10-26 | | Release date: | 1998-11-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.75 Å) | | Cite: | Centrosymmetric bilayers in the 0.75 A resolution structure of a designed alpha-helical peptide, D,L-Alpha-1.
Protein Sci., 8, 1999
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1NVO
 | | Solution structure of a four-helix bundle model, apo-DF1 | | Descriptor: | Homodimeric Alpha2 Four-Helix Bundle | | Authors: | Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F. | | Deposit date: | 2003-02-04 | | Release date: | 2003-03-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Preorganization of molecular binding sites in designed diiron proteins
Proc.Natl.Acad.Sci.USA, 100, 2003
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3LBW
 | | High resolution crystal structure of transmembrane domain of M2 | | Descriptor: | 4-bromobenzoic acid, DI(HYDROXYETHYL)ETHER, M2 protein, ... | | Authors: | Acharya, R, Polishchuk, A.L, DeGrado, W.F. | | Deposit date: | 2010-01-08 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus.
Proc.Natl.Acad.Sci.USA, 107, 2010
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8TN1
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8TN6
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8TNB
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8TNC
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8TND
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2A3D
 | | SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE-HELIX BUNDLE (A3D) | | Descriptor: | PROTEIN (DE NOVO THREE-HELIX BUNDLE) | | Authors: | Walsh, S.T.R, Cheng, H, Bryson, J.W, Roder, H, Degrado, W.F. | | Deposit date: | 1999-04-01 | | Release date: | 1999-05-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a de novo designed three-helix bundle protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1COS
 | | CRYSTAL STRUCTURE OF A SYNTHETIC TRIPLE-STRANDED ALPHA-HELICAL BUNDLE | | Descriptor: | COILED SERINE | | Authors: | Lovejoy, B, Choe, S, Cascio, D, Mcrorie, D.K, Degrado, W, Eisenberg, D. | | Deposit date: | 1993-01-22 | | Release date: | 1993-10-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a synthetic triple-stranded alpha-helical bundle.
Science, 259, 1993
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7BEY
 | | Het-N2-SO3- - De novo designed three-helix heterodimer with Cysteine S-sulfate at the N2 position of the alpha-helix | | Descriptor: | 'Cys-N2-SO3-' Strand, 'Positive' Strand, SULFATE ION | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
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4QKL
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2HZ8
 | | QM/MM structure refined from NMR-structure of a single chain diiron protein | | Descriptor: | De novo designed diiron protein, ZINC ION | | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | | Deposit date: | 2006-08-08 | | Release date: | 2007-07-17 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
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1AL1
 | | CRYSTAL STRUCTURE OF ALPHA1: IMPLICATIONS FOR PROTEIN DESIGN | | Descriptor: | ALPHA HELIX PEPTIDE: ELLKKLLEELKG, SULFATE ION | | Authors: | Hill, C.P, Anderson, D.H, Wesson, L, Degrado, W.F, Eisenberg, D. | | Deposit date: | 1990-07-02 | | Release date: | 1991-10-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of alpha 1: implications for protein design.
Science, 249, 1990
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7UDW
 | | Designed pentameric proton channel QQLL | | Descriptor: | De novo designed pentameric proton channel QQLL | | Authors: | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F. | | Deposit date: | 2022-03-20 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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4QKM
 | | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2014-06-06 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5ET3
 | | Crystal Structure of De novo Designed Fullerene organizing peptide | | Descriptor: | (C_{60}-I_{h})[5,6]fullerene, Fullerene Organizing Protein (C60Sol-COP-3) | | Authors: | Kim, K.-H, Kim, Y.H, Acharya, R, Kim, N.H, Paul, J, Grigoryan, G, DeGrado, W.F. | | Deposit date: | 2015-11-17 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.671 Å) | | Cite: | Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
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6US9
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6US8
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7UDX
 | | Designed pentameric proton channel QLQL | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL | | Authors: | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2022-03-20 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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1YOD
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2LY0
 | | Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332 | | Descriptor: | (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2 | | Authors: | Wu, Y, Wang, J, DeGrado, W. | | Deposit date: | 2012-09-10 | | Release date: | 2013-01-09 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
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