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6US8
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BU of 6us8 by Molmil
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
Descriptor: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
1AL1
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BU of 1al1 by Molmil
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
1Y47
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BU of 1y47 by Molmil
Structural studies of designed alpha-helical hairpins
Descriptor: CADMIUM ION, dueferri (DF2)
Authors:Lahr, S.J, Engel, D.E, Stayrook, S.E, Maglio, O, North, B, Geremia, S, Lombardi, A, DeGrado, W.F.
Deposit date:2004-11-30
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Analysis and design of turns in alpha-helical hairpins
J.Mol.Biol., 346, 2005
1QP6
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BU of 1qp6 by Molmil
SOLUTION STRUCTURE OF ALPHA2D
Descriptor: PROTEIN (ALPHA2D)
Authors:Hill, R.B, DeGrado, W.F.
Deposit date:1999-06-01
Release date:1999-06-09
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein
J.Am.Chem.Soc., 120, 1998
3LBW
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BU of 3lbw by Molmil
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
6YB1
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BU of 6yb1 by Molmil
Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc
Descriptor: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
Authors:Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
2MUZ
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BU of 2muz by Molmil
ssNMR structure of a designed rocker protein
Descriptor: designed rocker protein
Authors:Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2015-01-14
Method:SOLUTION NMR
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
6Z0L
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BU of 6z0l by Molmil
Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix
Descriptor: CADMIUM ION, Cys-N2 Strand, Positive Strand, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
Deposit date:2020-05-09
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.33 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
6Z0M
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BU of 6z0m by Molmil
Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix
Descriptor: Cys-Ncap strand, Positive Strand, SULFATE ION, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
Deposit date:2020-05-09
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 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
1COI
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BU of 1coi by Molmil
DESIGNED TRIMERIC COILED COIL-VALD
Descriptor: COIL-VALD, SULFATE ION
Authors:Ogihara, N.L, Weiss, M.S, Degrado, W.F, Eisenberg, D.
Deposit date:1996-08-10
Release date:1997-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the designed trimeric coiled coil coil-VaLd: implications for engineering crystals and supramolecular assemblies.
Protein Sci., 6, 1997
1G6U
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BU of 1g6u by Molmil
CRYSTAL STRUCTURE OF A DOMAIN SWAPPED DIMER
Descriptor: DOMAIN SWAPPED DIMER, SULFATE ION, trifluoroacetic acid
Authors:Ogihara, N.L, Ghirlanda, G, Bryson, J.W, Gingery, M, DeGrado, W.F, Eisenberg, D.
Deposit date:2000-11-07
Release date:2001-02-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design of three-dimensional domain-swapped dimers and fibrous oligomers.
Proc.Natl.Acad.Sci.USA, 98, 2001
5C02
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BU of 5c02 by Molmil
Influenza A M2 transmembrane domain drug-resistant S31N mutant at pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Crystal structure of the drug-resistant S31N influenza M2 proton channel.
Protein Sci., 25, 2016
5ET3
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BU of 5et3 by Molmil
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
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
Descriptor: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, M2 protein
Authors:Cady, S.D, Schmidt-Rohr, K, Wang, J, Soto, C.S, DeGrado, W.F, Hong, M.
Deposit date:2009-11-18
Release date:2010-02-09
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers
Nature, 463, 2010
4QKM
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BU of 4qkm by Molmil
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
4QKL
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BU of 4qkl by Molmil
Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under room temperature diffraction conditions
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE 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 (1.711 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
6MCT
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BU of 6mct by Molmil
A designed pentameric membrane protein stabilized by van der Waals interaction
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, Degrado, W.F.
Deposit date:2018-09-02
Release date:2019-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MJH
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BU of 6mjh by Molmil
The S31N mutant of the influenza A M2 proton channel in two distinct conformational states
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-09-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.
J.Am.Chem.Soc., 141, 2019
6MQU
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BU of 6mqu by Molmil
PL5, synthetic transmembrane domain variant of human phospholamban
Descriptor: PL5, designed TM pentamer
Authors:Mravic, M, Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-10-10
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MQ2
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BU of 6mq2 by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, Degrado, W.F.
Deposit date:2018-10-09
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MPW
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BU of 6mpw by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-1
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, DeGrado, W.F.
Deposit date:2018-10-08
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
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
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-05-02
Release date:2017-08-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.413 Å)
Cite: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
3S0R
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BU of 3s0r by Molmil
Crystal Structure of De novo Designed helical assembly protein
Descriptor: De novo designed Helical Assembly
Authors:Acharya, R, Grigoryan, G, Kim, Y.H, DeGrado, W.F.
Deposit date:2011-05-13
Release date:2011-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Computational design of virus-like protein assemblies on carbon nanotube surfaces.
Science, 332, 2011
6B17
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BU of 6b17 by Molmil
Design of a short thermally stable alpha-helix embedded in a macrocycle
Descriptor: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
Authors:Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
Deposit date:2017-09-17
Release date:2018-02-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6ANF
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BU of 6anf by Molmil
Design of a short thermo-stable alpha-helix embedded in a macrocycle
Descriptor: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
Authors:Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
Deposit date:2017-08-13
Release date:2018-02-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018

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