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1U7J
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BU of 1u7j by Molmil
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
1U7M
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BU of 1u7m by Molmil
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
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
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
Descriptor: CHLORIDE ION, Matrix protein 2, RIMANTADINE
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 (2 Å)
Cite: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
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
1NVO
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BU of 1nvo by Molmil
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
7UDY
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BU of 7udy by Molmil
Designed pentameric channel QLLL
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL
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 (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDW
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BU of 7udw by Molmil
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
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
Descriptor: De novo designed proton channel LLQL
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 (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDX
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BU of 7udx by Molmil
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
7UDZ
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BU of 7udz by Molmil
Designed pentameric proton channel LQLL
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL
Authors:Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
Descriptor: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
Authors:Schmidt, N, Liu, L, DeGrado, W.F.
Deposit date:2020-07-20
Release date:2020-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JRQ
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BU of 7jrq by Molmil
Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein
Descriptor: CHLORIDE ION, GLYCEROL, MPP1, ...
Authors:Mann, S.I, DeGrado, W.F.
Deposit date:2020-08-12
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
2HZ8
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BU of 2hz8 by Molmil
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
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
7BEY
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BU of 7bey by Molmil
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
3AL1
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BU of 3al1 by Molmil
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:2023-11-15
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
1YOD
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BU of 1yod by Molmil
Crystal structure of a water soluble analog of phospholamban
Descriptor: water-solublized phospholamban
Authors:Slovic, A.M, Stayrook, S.E, North, B, DeGrado, W.F.
Deposit date:2005-01-27
Release date:2005-04-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
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
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
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
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:2011-07-13
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

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