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PDB: 87 results

4JG1
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BU of 4jg1 by Molmil
Structure of phosphoserine/threonine (pSTAb) scaffold bound to pThr peptide
Descriptor: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
Authors:Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
2LY0
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BU of 2ly0 by Molmil
Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332
Descriptor: (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2
Authors:Wu, Y, Wang, J, DeGrado, W.
Deposit date:2012-09-10
Release date:2013-01-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
2MUV
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BU of 2muv by Molmil
NOE-based model of the influenza A virus M2 (19-49) bound to drug 11
Descriptor: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2
Authors:Wu, Y, Wang, J, DeGrado, W.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
4JFY
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BU of 4jfy by Molmil
Apo structure of phosphotyrosine (pYAb) scaffold
Descriptor: Fab heavy chain, Fab light chain, TETRAETHYLENE GLYCOL
Authors:Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
2MUW
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BU of 2muw by Molmil
NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11
Descriptor: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2
Authors:Wu, Y, Wang, J, DeGrado, W.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
4JFZ
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BU of 4jfz by Molmil
Structure of phosphoserine (pSAb) scaffold bound to pSer peptide
Descriptor: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
Authors:Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
2LFF
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BU of 2lff by Molmil
Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21
Descriptor: Diiron protein, ZINC ION
Authors:Pires, M, Wu, Y, Mills, J.L, Reig, A, Englander, W, Degrado, W, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-29
Release date:2011-08-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of Diiron protein in presence of 8 eq Zn2+
To be Published
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
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high 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:2016-11-02
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 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
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
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
5V2Q
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BU of 5v2q by Molmil
CaV beta2a subunit: CaV1.2 AID-CEN complex
Descriptor: 1,3-bis(bromomethyl)benzene, CHLORIDE ION, Voltage-dependent L-type calcium channel subunit alpha-1C, ...
Authors:Findeisen, F, Campiglio, M, Jo, H, Rumpf, C.H, Pope, L, Flucher, B, Degrado, W.F, Minor, D.L.
Deposit date:2017-03-06
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
5WLL
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BU of 5wll by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1
Descriptor: GLYCEROL, Helical Bundle 4DH1, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WOD
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BU of 5wod by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: 38-mer peptide
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WLK
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BU of 5wlk by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2
Descriptor: Helical Bundle 4EH2, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
5WLJ
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BU of 5wlj by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH1
Descriptor: De Novo Metal Binding Helical Bundle, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WLM
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BU of 5wlm by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2
Descriptor: Helical Bundle 4DH2, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
Descriptor: Computationally Designed Transporter of Zn(II) and Proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
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

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