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6E5C
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BU of 6e5c by Molmil
Solution NMR structure of a de novo designed double-stranded beta-helix
Descriptor: De novo beta protein
Authors:Marcos, E, Chidyausiku, T.M, McShan, A, Evangelidis, T, Nerli, S, Sgourakis, N, Tripsianes, K, Baker, D.
Deposit date:2018-07-19
Release date:2018-11-07
Last modified:2018-11-14
Method:SOLUTION NMR
Cite:De novo design of a non-local beta-sheet protein with high stability and accuracy.
Nat. Struct. Mol. Biol., 25, 2018
5TRV
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BU of 5trv by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: DI(HYDROXYETHYL)ETHER, denovo NTF2
Authors:Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
Deposit date:2016-10-27
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TPJ
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BU of 5tpj by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: denovo NTF2
Authors:Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
Deposit date:2016-10-20
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TPH
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BU of 5tph by Molmil
Crystal structure of a de novo designed protein homodimer with curved beta-sheet
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, de novo NTF2 homodimer
Authors:Basanta, B, Marcos, E, Oberdorfer, G, Chidyausiku, T.M, Sankaran, B, Baker, D.
Deposit date:2016-10-20
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TS4
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BU of 5ts4 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: DI(HYDROXYETHYL)ETHER, denovo NTF2
Authors:Basanta, B, Oberdorfer, G, Chidyausiku, T.M, Marcos, E, Pereira, J.H, Sankaran, B, Zwart, P.H, Baker, D.
Deposit date:2016-10-27
Release date:2017-01-25
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5U35
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BU of 5u35 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ...
Authors:Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D.
Deposit date:2016-12-01
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5L33
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BU of 5l33 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: denovo NTF2
Authors:Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D.
Deposit date:2016-08-03
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
4R80
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BU of 4r80 by Molmil
Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486
Descriptor: OR486
Authors:Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-08-29
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486
To be Published
8QZK
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BU of 8qzk by Molmil
Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 Hexagonal form
Descriptor: ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE
Authors:Aghajari, N, Hansen, A.L, Thiesen, F.F, Crehuet, R, Marcos, E, Willemoes, M.
Deposit date:2023-10-27
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination.
Acs Synth Biol, 13, 2024
7SKN
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BU of 7skn by Molmil
De novo synthetic protein DIG8-CC (tetragonal space group)
Descriptor: De novo synthetic protein DIG8-CC
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
Descriptor: De novo synthetic protein DIG8-CC, MAGNESIUM ION
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKP
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BU of 7skp by Molmil
De novo synthetic protein DIG14 (tetragonal space group)
Descriptor: De novo synthetic protein DIG14
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
8BL6
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BU of 8bl6 by Molmil
De novo single-chain immunoglobulin dimer scIg12+EF3a
Descriptor: GLYCEROL, TERBIUM(III) ION, dIG14-scdim-EF62
Authors:Nadal, M, Roel-Touris, J, Marcos, E.
Deposit date:2022-11-09
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops.
Nat Commun, 14, 2023
8BL3
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BU of 8bl3 by Molmil
De novo single-chain immunoglobulin dimer scIg12
Descriptor: GLYCEROL, scIg12
Authors:Nadal, M, Roel-Touris, J, Marcos, E.
Deposit date:2022-11-09
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops.
Nat Commun, 14, 2023
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
Descriptor: BB1
Authors:Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
Deposit date:2018-04-10
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
5KPH
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BU of 5kph by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR485
Descriptor: De novo Beta Sheet Design Protein OR485
Authors:Tang, Y, Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-04
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5KPE
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BU of 5kpe by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
Descriptor: De novo Beta Sheet Design Protein OR664
Authors:Tang, Y, Liu, G, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-03
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
8QYE
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BU of 8qye by Molmil
Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4
Descriptor: 1,2-ETHANEDIOL, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE
Authors:Aghajari, N.
Deposit date:2023-10-25
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination.
Acs Synth Biol, 13, 2024
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6DG5
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BU of 6dg5 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
Authors:Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
Deposit date:2018-05-16
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.516 Å)
Cite:De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
6DG6
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BU of 6dg6 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic
Descriptor: Neoleukin-2/15
Authors:Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
Deposit date:2018-05-16
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
7SKL
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BU of 7skl by Molmil
Complex between S. aureus aureolysin and IMPI mutant I57I
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ...
Authors:Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022

 

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