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PDB: 76 件
2HZ8
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BU of 2hz8 by Molmil
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
5C02
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BU of 5c02 by Molmil
Influenza A M2 transmembrane domain drug-resistant S31N mutant at pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHLORIDE ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2015-06-12
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Crystal structure of the drug-resistant S31N influenza M2 proton channel.
Protein Sci., 25, 2016
6YB1
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BU of 6yb1 by Molmil
Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc
分子名称: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
著者Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
登録日2020-03-15
公開日2021-04-07
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
分子名称: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
分子名称: CHLORIDE ION, Matrix protein 2, RIMANTADINE
著者Thomaston, J.L, DeGrado, W.F.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6US8
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BU of 6us8 by Molmil
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, DeGrado, W.F.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
1G6U
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BU of 1g6u by Molmil
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
1Y47
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BU of 1y47 by Molmil
Structural studies of designed alpha-helical hairpins
分子名称: CADMIUM ION, dueferri (DF2)
著者Lahr, S.J, Engel, D.E, Stayrook, S.E, Maglio, O, North, B, Geremia, S, Lombardi, A, DeGrado, W.F.
登録日2004-11-30
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Analysis and design of turns in alpha-helical hairpins
J.Mol.Biol., 346, 2005
5ET3
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BU of 5et3 by Molmil
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
1YOD
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BU of 1yod by Molmil
Crystal structure of a water soluble analog of phospholamban
分子名称: water-solublized phospholamban
著者Slovic, A.M, Stayrook, S.E, North, B, DeGrado, W.F.
登録日2005-01-27
公開日2005-04-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structure of a water-soluble analog of the membrane protein phospholamban: sequence determinants defining the topology of tetrameric and pentameric coiled coils.
J.Mol.Biol., 348, 2005
2A3D
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BU of 2a3d by Molmil
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
5JOO
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BU of 5joo by Molmil
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
1QP6
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BU of 1qp6 by Molmil
SOLUTION STRUCTURE OF ALPHA2D
分子名称: PROTEIN (ALPHA2D)
著者Hill, R.B, DeGrado, W.F.
登録日1999-06-01
公開日1999-06-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein
J.Am.Chem.Soc., 120, 1998
1AL1
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BU of 1al1 by Molmil
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2024-06-05
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
1COI
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BU of 1coi by Molmil
DESIGNED TRIMERIC COILED COIL-VALD
分子名称: COIL-VALD, SULFATE ION
著者Ogihara, N.L, Weiss, M.S, Degrado, W.F, Eisenberg, D.
登録日1996-08-10
公開日1997-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of the designed trimeric coiled coil coil-VaLd: implications for engineering crystals and supramolecular assemblies.
Protein Sci., 6, 1997
2MUZ
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BU of 2muz by Molmil
ssNMR structure of a designed rocker protein
分子名称: designed rocker protein
著者Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M.
登録日2014-09-18
公開日2014-12-24
最終更新日2015-01-14
実験手法SOLUTION NMR
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
2KQT
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BU of 2kqt by Molmil
Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, M2 protein
著者Cady, S.D, Schmidt-Rohr, K, Wang, J, Soto, C.S, DeGrado, W.F, Hong, M.
登録日2009-11-18
公開日2010-02-09
最終更新日2024-05-08
実験手法SOLID-STATE NMR
主引用文献Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers
Nature, 463, 2010
3S0R
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BU of 3s0r by Molmil
Crystal Structure of De novo Designed helical assembly protein
分子名称: De novo designed Helical Assembly
著者Acharya, R, Grigoryan, G, Kim, Y.H, DeGrado, W.F.
登録日2011-05-13
公開日2011-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.453 Å)
主引用文献Computational design of virus-like protein assemblies on carbon nanotube surfaces.
Science, 332, 2011
4JFY
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BU of 4jfy by Molmil
Apo structure of phosphotyrosine (pYAb) scaffold
分子名称: Fab heavy chain, Fab light chain, TETRAETHYLENE GLYCOL
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JG0
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BU of 4jg0 by Molmil
Structure of phosphoserine/threonine (pSTAb) scaffold bound to pSer peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JFZ
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BU of 4jfz by Molmil
Structure of phosphoserine (pSAb) scaffold bound to pSer peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JFX
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BU of 4jfx by Molmil
Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide
分子名称: Fab heavy chain, Fab light chain, Phosphopeptide, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-09-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JG1
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BU of 4jg1 by Molmil
Structure of phosphoserine/threonine (pSTAb) scaffold bound to pThr peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
分子名称: Computationally Designed Transporter of Zn(II) and proton
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4QKC
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BU of 4qkc by Molmil
Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under cryo diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-05
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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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