Author results

6CZG
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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:2019-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZH
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STRUCTURE OF A REDESIGNED BETA BARREL, MFAP0, BOUND TO DFHBI
Descriptor:mFAP0, (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
Authors:Doyle, L.A., Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2019-04-17
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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STRUCTURE OF A REDESIGNED BETA BARREL, MFAP1, BOUND TO DFHBI
Descriptor:mFAP1, (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
Authors:Doyle, L.A., Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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STRUCTURE OF A REDESIGNED BETA BARREL, B10
Descriptor:b10, SULFATE ION
Authors:Doyle, L.A., Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6D0T
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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:2018-10-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
5BVB
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ENGINEERED DIGOXIGENIN BINDER DIG5.1A
Descriptor:DIG5.1a, DIGOXIGENIN
Authors:Doyle, L.A., Stoddard, B.L.
Deposit date:2015-06-04
Release date:2015-10-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
3B5L
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CRYSTAL STRUCTURE OF A NOVEL ENGINEERED RETROALDOLASE: RA-61
Descriptor:Endoxylanase, SULFATE ION, AMMONIUM ION
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2007-10-26
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo computational design of retro-aldol enzymes.
Science, 319, 2008
3HOJ
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CRYSTAL STRUCTURE OF A NOVEL ENGINEERED RETROALDOLASE: RA-22
Descriptor:RETROALDOLASE-22
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2009-06-02
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
4J8T
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ENGINEERED DIGOXIGENIN BINDER DIG10.2
Descriptor:Engineered Digoxigenin binder protein DIG10.2, DIGOXIGENIN
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2013-02-14
Release date:2013-06-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4J9A
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ENGINEERED DIGOXIGENIN BINDER DIG10.3
Descriptor:Engineered Digoxigenin binder protein DIG10.3, DIGOXIGENIN
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2013-02-15
Release date:2013-06-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
5IER
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STRUCTURE OF A COMPUTATIONALLY DESIGNED 17-OHP BINDER
Descriptor:OHP9, (9beta)-17-hydroxypregn-4-ene-3,20-dione, SULFATE ION, ...
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IF6
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STRUCTURE OF A COMPUTATIONALLY DESIGNED 17-OHP BINDER
Descriptor:OHP9_1c, (9beta)-17-hydroxypregn-4-ene-3,20-dione, SODIUM ION
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IEN
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STRUCTURE OF CDL2.2, A COMPUTATIONALLY DESIGNED VITAMIN-D3 BINDER
Descriptor:CDL2.2, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, GLYCEROL
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structure of CDL2.2, a computationally designed Vitamin-D3 binder
To be published
5IEO
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STRUCTURE OF CDL2.3A, A COMPUTATIONALLY DESIGNED VITAMIN-D3 BINDER
Descriptor:CDL2.3a, 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
To be published
5IEP
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STRUCTURE OF CDL2.3B, A COMPUTATIONALLY DESIGNED VITAMIN-D3 BINDER
Descriptor:CDL2.3b, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
Authors:Stoddard, B.L., Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
To be published