2HZ8
| QM/MM structure refined from NMR-structure of a single chain diiron protein | 分子名称: | De novo designed diiron protein, ZINC ION | 著者 | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | 登録日 | 2006-08-08 | 公開日 | 2007-07-17 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008
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1U7M
| Solution structure of a diiron protein model: Due Ferri(II) turn mutant | 分子名称: | Four-helix bundle model, ZINC ION | 著者 | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | 登録日 | 2004-08-04 | 公開日 | 2005-03-01 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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1U7J
| Solution structure of a diiron protein model | 分子名称: | Four-helix bundle model, ZINC ION | 著者 | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | 登録日 | 2004-08-04 | 公開日 | 2005-03-01 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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5V2O
| De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | 分子名称: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | 著者 | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | 登録日 | 2017-03-06 | 公開日 | 2017-10-04 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6D02
| Cross-alpha Amyloid-like Structure alphaAmL, 2nd form | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ... | 著者 | Zhang, S.-Q, Liu, L, Degrado, W.F. | 登録日 | 2018-04-10 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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5ET3
| Crystal Structure of De novo Designed Fullerene organizing peptide | 分子名称: | (C_{60}-I_{h})[5,6]fullerene, Fullerene Organizing Protein (C60Sol-COP-3) | 著者 | Kim, K.-H, Kim, Y.H, Acharya, R, Kim, N.H, Paul, J, Grigoryan, G, DeGrado, W.F. | 登録日 | 2015-11-17 | 公開日 | 2016-05-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.671 Å) | 主引用文献 | Protein-directed self-assembly of a fullerene crystal. Nat Commun, 7, 2016
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5UM1
| XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature | 分子名称: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | 著者 | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | 登録日 | 2017-01-25 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3AL1
| DESIGNED PEPTIDE ALPHA-1, RACEMIC P1BAR FORM | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOLAMINE, PROTEIN (D, ... | 著者 | Patterson, W.R, Anderson, D.H, Degrado, W.F, Cascio, D, Eisenberg, D. | 登録日 | 1998-10-26 | 公開日 | 1998-11-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (0.75 Å) | 主引用文献 | 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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5V2P
| CaV beta2a subunit: CaV1.2 AID-CAP complex | 分子名称: | 1,3-bis(bromomethyl)benzene, NICKEL (II) ION, PENTAETHYLENE GLYCOL, ... | 著者 | Findeisen, F, Campiglio, M, Jo, H, Rumpf, C.H, Pope, L, Flucher, B, Degrado, W.F, Minor, D.L. | 登録日 | 2017-03-06 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Stapled Voltage-Gated Calcium Channel (CaV) alpha-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function. ACS Chem Neurosci, 8, 2017
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5V2G
| De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | 分子名称: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | 著者 | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | 登録日 | 2017-03-03 | 公開日 | 2017-09-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3LBW
| High resolution crystal structure of transmembrane domain of M2 | 分子名称: | 4-bromobenzoic acid, DI(HYDROXYETHYL)ETHER, M2 protein, ... | 著者 | Acharya, R, Polishchuk, A.L, DeGrado, W.F. | 登録日 | 2010-01-08 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | 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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1G6U
| CRYSTAL STRUCTURE OF A DOMAIN SWAPPED DIMER | 分子名称: | DOMAIN SWAPPED DIMER, SULFATE ION, trifluoroacetic acid | 著者 | Ogihara, N.L, Ghirlanda, G, Bryson, J.W, Gingery, M, DeGrado, W.F, Eisenberg, D. | 登録日 | 2000-11-07 | 公開日 | 2001-02-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Design of three-dimensional domain-swapped dimers and fibrous oligomers. Proc.Natl.Acad.Sci.USA, 98, 2001
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1MFT
| Crystal Structure Of Four-Helix Bundle Model | 分子名称: | Four-helix bundle model, ZINC ION | 著者 | Lahr, S.J, Stayrook, S.E, North, B, Kaplan, J, Geremia, S, DeGrado, W. | 登録日 | 2002-08-13 | 公開日 | 2004-01-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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5C02
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1NVO
| Solution structure of a four-helix bundle model, apo-DF1 | 分子名称: | Homodimeric Alpha2 Four-Helix Bundle | 著者 | Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F. | 登録日 | 2003-02-04 | 公開日 | 2003-03-25 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Preorganization of molecular binding sites in designed diiron proteins Proc.Natl.Acad.Sci.USA, 100, 2003
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6US8
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6US9
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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 | 分子名称: | 'Cys-N2-SO3-' Strand, 'Positive' Strand, SULFATE ION | 著者 | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | 登録日 | 2021-01-06 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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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6NV1
| Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor | 分子名称: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ... | 著者 | Thomaston, J.L, Liu, L, DeGrado, W.F. | 登録日 | 2019-02-04 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance. Biochemistry, 59, 2020
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2A3D
| SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE-HELIX BUNDLE (A3D) | 分子名称: | PROTEIN (DE NOVO THREE-HELIX BUNDLE) | 著者 | Walsh, S.T.R, Cheng, H, Bryson, J.W, Roder, H, Degrado, W.F. | 登録日 | 1999-04-01 | 公開日 | 1999-05-05 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and dynamics of a de novo designed three-helix bundle protein. Proc.Natl.Acad.Sci.USA, 96, 1999
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7UDW
| Designed pentameric proton channel QQLL | 分子名称: | De novo designed pentameric proton channel QQLL | 著者 | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F. | 登録日 | 2022-03-20 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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1COS
| CRYSTAL STRUCTURE OF A SYNTHETIC TRIPLE-STRANDED ALPHA-HELICAL BUNDLE | 分子名称: | COILED SERINE | 著者 | Lovejoy, B, Choe, S, Cascio, D, Mcrorie, D.K, Degrado, W, Eisenberg, D. | 登録日 | 1993-01-22 | 公開日 | 1993-10-31 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of a synthetic triple-stranded alpha-helical bundle. Science, 259, 1993
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7UDX
| Designed pentameric proton channel QLQL | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL | 著者 | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | 登録日 | 2022-03-20 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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5JOO
| XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature | 分子名称: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | 著者 | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | 登録日 | 2016-05-02 | 公開日 | 2017-08-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.413 Å) | 主引用文献 | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7JH6
| De novo designed two-domain di-Zn(II) and porphyrin-binding protein | 分子名称: | NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ... | 著者 | Schmidt, N, Liu, L, DeGrado, W.F. | 登録日 | 2020-07-20 | 公開日 | 2020-12-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Allosteric cooperation in a de novo-designed two-domain protein. Proc.Natl.Acad.Sci.USA, 117, 2020
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