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4NDK
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BU of 4ndk by Molmil
Crystal structure of a computational designed engrailed homeodomain variant fused with YFP
Descriptor: E23P-YFP, GFP-like fluorescent chromoprotein FP506, related, ...
Authors:Mou, Y, Mayo, S.L.
Deposit date:2013-10-26
Release date:2014-11-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
4NDJ
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BU of 4ndj by Molmil
Crystal Structure of a computational designed engrailed homeodomain variant fused with YFP
Descriptor: Green fluorescent protein, chimeric construct,GFP-like fluorescent chromoprotein FP506, related
Authors:Mou, Y, Mayo, S.L.
Deposit date:2013-10-26
Release date:2014-11-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
6C9I
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BU of 6c9i by Molmil
Single-Particle reconstruction of DARP14 - A designed protein scaffold displaying ~17kDa DARPin proteins - Scaffold
Descriptor: DARP14 - Subunit A with DARPin, DARP14 - Subunit B
Authors:Gonen, S, Liu, Y, Yeates, T.O, Gonen, T.
Deposit date:2018-01-26
Release date:2018-03-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Near-atomic cryo-EM imaging of a small protein displayed on a designed scaffolding system.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6C9K
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BU of 6c9k by Molmil
Single-Particle reconstruction of DARP14 - A designed protein scaffold displaying ~17kDa DARPin proteins
Descriptor: DARP14 - Subunit A with DARPin, DARP14 - Subunit B
Authors:Gonen, S, Liu, Y, Yeates, T.O, Gonen, T.
Deposit date:2018-01-26
Release date:2018-03-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Near-atomic cryo-EM imaging of a small protein displayed on a designed scaffolding system.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3R2X
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BU of 3r2x by Molmil
Crystal structure of the de novo designed binding protein HB36.3 in complex the the 1918 influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HB36.3, designed hemagglutinin binding protein, ...
Authors:Ekiert, D.C, Wilson, I.A.
Deposit date:2011-03-14
Release date:2011-05-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Computational design of proteins targeting the conserved stem region of influenza hemagglutinin.
Science, 332, 2011
3LJM
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BU of 3ljm by Molmil
Structure of de novo designed apo peptide coil SER L9C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, COIL SER L9C, ...
Authors:Chakraborty, S.
Deposit date:2010-01-26
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural comparisons of apo- and metalated three-stranded coiled coils clarify metal binding determinants in thiolate containing designed peptides.
J.Am.Chem.Soc., 132, 2010
4PN8
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BU of 4pn8 by Molmil
A de novo designed pentameric coiled coil CC-Pent.
Descriptor: CC-Pent
Authors:Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N.
Deposit date:2014-05-23
Release date:2014-10-22
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
2KIK
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BU of 2kik by Molmil
An artificial di-iron oxo-protein with phenol oxidase activity
Descriptor: Artificial diiron protein, ZINC ION
Authors:Maglio, O, Lombardi, A.
Deposit date:2009-05-06
Release date:2009-11-10
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:An artificial di-iron oxo-protein with phenol oxidase activity
To be Published
4J9T
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BU of 4j9t by Molmil
Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61
Descriptor: ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-02-17
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
2MLB
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BU of 2mlb by Molmil
NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin
Descriptor: redesigned ubiquitin
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-02-21
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
6JCC
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BU of 6jcc by Molmil
structure of a de novo protein D_1CY5_M1
Descriptor: Computational designed protein based on evolution
Authors:Meng, W, Feng, T.
Deposit date:2019-01-28
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:structure of a computationally designed mutant protein D_1CY5_M1
To Be Published
8VSW
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BU of 8vsw by Molmil
4-MERCAPTOPHENOL-ALPHA3C
Descriptor: 4-mercaptophenol-alpha3C protein, 4-sulfanylphenol
Authors:Tommos, C.
Deposit date:2024-01-24
Release date:2024-03-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein.
Chem Sci, 15, 2024
7DCL
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BU of 7dcl by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I/A38S AB5
Descriptor: CHLORIDE ION, HEME C, ZINC ION, ...
Authors:Song, W.J, Yu, J.
Deposit date:2020-10-26
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
6LDF
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BU of 6ldf by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96K AB5
Descriptor: CHLORIDE ION, HEME C, ZINC ION, ...
Authors:Song, W.J, Yu, J.
Deposit date:2019-11-21
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
6LDE
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BU of 6lde by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96V AB5
Descriptor: CHLORIDE ION, HEME C, ZINC ION, ...
Authors:Song, W.J, Yu, J.
Deposit date:2019-11-21
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
6LDG
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BU of 6ldg by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I AB5
Descriptor: CHLORIDE ION, HEME C, MAGNESIUM ION, ...
Authors:Song, W.J, Yu, J.
Deposit date:2019-11-21
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
6FDB
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BU of 6fdb by Molmil
Positively supercharged variant of the computationally designed cage protein O3-33
Descriptor: Propanediol utilization protein
Authors:Edwardson, T, Mori, T, Hilvert, D.
Deposit date:2017-12-22
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.619 Å)
Cite:Rational Engineering of a Designed Protein Cage for siRNA Delivery.
J. Am. Chem. Soc., 140, 2018
3V45
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BU of 3v45 by Molmil
Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130
Descriptor: CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55
Authors:Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-14
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
Descriptor: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6ER6
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BU of 6er6 by Molmil
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes7/Imdes7
Descriptor: Endonuclease colEdes7, immunity Imdes7
Authors:Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J.
Deposit date:2017-10-17
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
4ESS
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BU of 4ess by Molmil
Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187
Descriptor: OR187
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-23
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9971 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ETJ
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BU of 4etj by Molmil
Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
6VFL
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BU of 6vfl by Molmil
BG505-SOSIP model reconstructed by subparticle extraction and refinement from a tetrahedral nanoparticle T33_dn10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-SOSIPv5.2(7S) - gp120, ...
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2020-01-05
Release date:2020-07-22
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Structural and functional evaluation of de novo-designed, two-component nanoparticle carriers for HIV Env trimer immunogens.
Plos Pathog., 16, 2020
8ED3
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BU of 8ed3 by Molmil
Structure of a nanoparticle with icosahedral symmetry
Descriptor: Designed I3-01 icosahedron
Authors:McCarthy, S, Gonen, S.
Deposit date:2022-09-02
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Improved interface packing and design opportunities revealed by CryoEM analysis of a designed protein nanocage.
Heliyon, 8, 2022
6OHH
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BU of 6ohh by Molmil
Structure of EF1p2_mFAP2b bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021

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