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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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 | 2022-03-09 | | 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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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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3S0R
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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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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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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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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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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 | 2022-03-02 | | 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 | 2022-03-02 | | 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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5C02
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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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1AL1
 | | CRYSTAL STRUCTURE OF ALPHA1: IMPLICATIONS FOR PROTEIN DESIGN | | 分子名称: | ALPHA HELIX PEPTIDE: ELLKKLLEELKG, SULFATE ION | | 著者 | Hill, C.P, Anderson, D.H, Wesson, L, Degrado, W.F, Eisenberg, D. | | 登録日 | 1990-07-02 | | 公開日 | 1991-10-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of alpha 1: implications for protein design.
Science, 249, 1990
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6Z0L
 | | Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix | | 分子名称: | CADMIUM ION, Cys-N2 Strand, Positive Strand, ... | | 著者 | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | 登録日 | 2020-05-09 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.33 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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6Z0M
 | | Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix | | 分子名称: | Cys-Ncap strand, Positive Strand, SULFATE ION, ... | | 著者 | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | 登録日 | 2020-05-09 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 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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7JRQ
 | | Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein | | 分子名称: | CHLORIDE ION, GLYCEROL, MPP1, ... | | 著者 | Mann, S.I, DeGrado, W.F. | | 登録日 | 2020-08-12 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
J.Am.Chem.Soc., 143, 2021
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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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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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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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6O3N
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6OUG
 | | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct | | 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, Matrix protein 2 | | 著者 | Thomaston, J.L, Liu, L, DeGrado, W.F. | | 登録日 | 2019-05-04 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.01 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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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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7UDV
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7UDZ
 | | Designed pentameric proton channel LQLL | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL | | 著者 | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, 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 (2.48 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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7UDY
 | | Designed pentameric channel QLLL | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL | | 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 (2.4 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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