Author results

4JGK
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CRYSTAL STRUCTURE OF THE EVOLVED VARIANT OF THE COMPUTATIONALLY DESIGNED SERINE HYDROLASE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET OR275
Descriptor:evolved variant of a designed serine hydrolase
Authors:Kuzin, A., Lew, S., Rajagopalan, S., Seetharaman, J., Mao, L., Xiao, R., Lee, D., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-01
Release date:2013-03-20
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
To be Published
4JXI
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DIRECTED EVOLUTION AND RATIONAL DESIGN OF A DE NOVO DESIGNED ESTERASE TOWARD IMPROVED CATALYSIS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET OR184
Descriptor:design cystein esterase, BROMIDE ION, GLYCEROL, ...
Authors:Kuzin, A., Smith, M.D., Richter, F., Lew, S., Seetharaman, R., Bryan, C., Lech, Z., Kiss, G., Moretti, R., Maglaqui, M., Xiao, R., Kohan, E., Smith, M., Everett, J.K., Nguyen, R., Pande, V., Hilvert, D., Kornhaber, G., Baker, D., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-28
Release date:2013-05-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published
4K0C
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CRYSTAL STRUCTURE OF THE COMPUTATIONALLY DESIGNED SERINE HYDROLASE. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET OR317
Descriptor:designed serine hydrolase
Authors:Kuzin, A., Lew, S., Rajagopalan, S., Seetharaman, J., Maglaqui, M., Xiao, R., Lee, D., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-03
Release date:2013-04-24
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Northeast Structural Genomics Consortium Target OR317
To be Published
4KYB
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CRYSTAL STRUCTURE OF DE NOVO DESIGNED SERINE HYDROLASE OSH55.14_E3, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR342
Descriptor:Designed Protein OR342, PHOSPHATE ION
Authors:Kuzin, A., Lew, S., Rajagopalan, S., Seetharaman, J., Mao, L., Xiao, R., Lee, D., Raja, S., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-28
Release date:2013-06-19
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Northeast Structural Genomics Consortium Target OR342
To be Published
4ZK7
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CRYSTAL STRUCTURE OF RESCUED TWO-COMPONENT SELF-ASSEMBLING TETRAHEDRAL CAGE T33-31
Descriptor:Chorismate mutase, Divalent-cation tolerance protein CutA
Authors:Liu, Y., Cascio, D., Sawaya, M.R., Bale, J., Collazo, M.J., Park, R., King, N., Baker, D., Yeates, T.
Deposit date:2015-04-30
Release date:2015-07-29
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
5BRU
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CATALYTIC IMPROVEMENT OF AN ARTIFICIAL METALLOENZYME BY COMPUTATIONAL DESIGN
Descriptor:Carbonic anhydrase 2, ZINC ION, chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium, ...
Authors:Heinisch, T., Pellizzoni, M., Duerrenberger, M., Tinberg, C.E., Koehler, V., Klehr, J., Haeussinger, D., Baker, D., Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-24
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5BRV
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CATALYTIC IMPROVEMENT OF AN ARTIFICIAL METALLOENZYME BY COMPUTATIONAL DESIGN
Descriptor:Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
Authors:Heinisch, T., Pellizzoni, M., Duerrenberger, M., Tinberg, C.E., Koehler, V., Klehr, J., Haeussinger, D., Baker, D., Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-24
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5BRW
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CATALYTIC IMPROVEMENT OF AN ARTIFICIAL METALLOENZYME BY COMPUTATIONAL DESIGN
Descriptor:Carbonic anhydrase 2, ZINC ION, SULFATE ION, ...
Authors:Heinisch, T., Pellizzoni, M., Duerrenberger, M., Tinberg, C.E., Koehler, V., Klehr, J., Haeussinger, D., Baker, D., Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-17
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5HRY
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COMPUTATIONALLY DESIGNED CYCLIC DIMER ANK3C2_1
Descriptor:ank3C2_1
Authors:Cascio, D., McNamara, D.E., Fallas, J.A., Baker, D., Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5HRZ
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COMPUTATIONALLY DESIGNED TRIMER 1NA0C3_3
Descriptor:TPR domain protein 1na0C3_3
Authors:Cascio, D., McNamara, D.E., Fallas, J.A., Baker, D., Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5HS0
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COMPUTATIONALLY DESIGNED CYCLIC TETRAMER ANK1C4_7
Descriptor:Ankyrin domain protein ank1C4_7, SULFATE ION, GLYCEROL
Authors:McNamara, D.E., Cascio, D., Fallas, J.A., Baker, D., Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5TVV
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COMPUTATIONALLY DESIGNED FENTANYL BINDER - FEN49* APO
Descriptor:Endo-1,4-beta-xylanase A, POTASSIUM ION
Authors:Bick, M.J., Greisen, P.J., Morey, K.J., Antunes, A.S., La, D., Sankaran, B., Reymond, L., Johnsson, K., Medford, J.I., Baker, D.
Deposit date:2016-11-10
Release date:2017-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TVY
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COMPUTATIONALLY DESIGNED FENTANYL BINDER - FEN49
Descriptor:Endo-1,4-beta-xylanase A, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
Authors:Bick, M.J., Greisen, P.J., Morey, K.J., Antunes, M.S., La, D., Sankaran, B., Reymond, L., Johnsson, K., Medford, J.I., Baker, D.
Deposit date:2016-11-10
Release date:2017-10-04
Method:X-RAY DIFFRACTION (1 Å)
Cite:Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TZO
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COMPUTATIONALLY DESIGNED FENTANYL BINDER - FEN49*-COMPLEX
Descriptor:Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, POTASSIUM ION, ...
Authors:Bick, M.J., Greisen, P.J., Morey, K.J., Antunes, M.S., La, D., Sankaran, B., Reymond, L., Johnsson, K., Medford, J.I., Baker, D.
Deposit date:2016-11-22
Release date:2017-10-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
6B85
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CRYSTAL STRUCTURE OF TRANSMEMBRANE PROTEIN TMHC4_R
Descriptor:TMHC4_R
Authors:Lu, P., DiMaio, F., Min, D., Bowie, J., Wei, K.Y., Baker, D.
Deposit date:2017-10-05
Release date:2018-03-14
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (3.889 Å)
Cite:Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6B87
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CRYSTAL STRUCTURE OF TRANSMEMBRANE PROTEIN TMHC2_E
Descriptor:TMHC2_E
Authors:Lu, P., DiMaio, F., Min, D., Wei, K.Y., Bowie, J., Baker, D.
Deposit date:2017-10-05
Release date:2018-03-14
Method:X-RAY DIFFRACTION (2.947 Å)
Cite:Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6DMP
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DE NOVO DESIGN OF A PROTEIN HETERODIMER WITH SPECIFICITY MEDIATED BY HYDROGEN BOND NETWORKS
Descriptor:Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B
Authors:Chen, Z., Flores-Solis, D., Sgourakis, N.G., Baker, D.
Deposit date:2018-06-05
Release date:2018-12-19
Last modified:2019-01-16
Method:SOLUTION NMR
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
2KS6
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NMR SOLUTION STRUCTURE OF ALG13 --- OBTAINED WITH ITERATIVE CS-ROSETTA FROM BACKBONE NMR DATA.
Descriptor:UDP-N-acetylglucosamine transferase subunit ALG13
Authors:Lange, O.F., Wang, X., Prestegard, J.H., Baker, D.
Deposit date:2009-12-29
Release date:2011-01-12
Last modified:2014-10-01
Method:SOLUTION NMR
Cite:NMR structure determination for larger proteins using backbone-only data.
Science, 327, 2010
2LC9
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SOLUTION STRUCTURE OF A MINOR AND TRANSIENTLY FORMED STATE OF A T4 LYSOZYME MUTANT
Descriptor:Lysozyme
Authors:Bouvignies, G., Vallurupalli, P., Hansen, D., Correia, B., Lange, O., Bah, A., Vernon, R.M., Dahlquist, F.W., Baker, D., Kay, L.E.
Deposit date:2011-04-26
Release date:2011-08-17
Last modified:2011-09-07
Method:SOLUTION NMR
Cite:Solution structure of a minor and transiently formed state of a T4 lysozyme mutant.
Nature, 477, 2011
2LCB
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SOLUTION STRUCTURE OF A MINOR AND TRANSIENTLY FORMED STATE OF A T4 LYSOZYME MUTANT
Descriptor:Lysozyme
Authors:Bouvignies, G., Vallurupalli, P., Hansen, D., Correia, B., Lange, O., Bah, A., Vernon, R.M., Dahlquist, F.W., Baker, D., Kay, L.E.
Deposit date:2011-04-26
Release date:2011-08-17
Last modified:2011-09-07
Method:SOLUTION NMR
Cite:Solution structure of a minor and transiently formed state of a T4 lysozyme mutant.
Nature, 477, 2011
3J03
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LIDLESS MM-CPN IN THE CLOSED STATE WITH ATP/ALFX
Descriptor:Lidless Mm-cpn
Authors:Zhang, J., Ma, B., DiMaio, F., Douglas, N.R., Joachimiak, L., Baker, D., Frydman, J., Levitt, M., Chiu, W.
Deposit date:2011-02-10
Release date:2011-05-18
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure.
Structure, 19, 2011
3Q9N
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IN SILICO AND IN VITRO CO-EVOLUTION OF A HIGH AFFINITY COMPLEMENTARY PROTEIN-PROTEIN INTERFACE
Descriptor:CoA binding protein, consensus ankyrin repeat, CARBAMOYL SARCOSINE, ...
Authors:Karanicolas, J., Corn, J.E., Chen, I., Joachimiak, L.A., Dym, O., Chung, S., Albeck, S., Unger, T., Hu, W., Liu, G., Delbecq, S., Montelione, G.T., Spiegel, C., Liu, D., Baker, D., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-09
Release date:2011-04-27
Last modified:2011-07-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3Q9U
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IN SILICO AND IN VITRO CO-EVOLUTION OF A HIGH AFFINITY COMPLEMENTARY PROTEIN-PROTEIN INTERFACE
Descriptor:CoA binding protein, consensus ankyrin repeat, COENZYME A
Authors:Karanicolas, J., Corn, J.E., Chen, I., Joachimiak, L.A., Dym, O., Chung, S., Albeck, S., Unger, T., Hu, W., Liu, G., Delbecq, S., Montelione, G.T., Spiegel, C., Liu, D., Baker, D., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2011-07-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3TC6
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CRYSTAL STRUCTURE OF ENGINEERED PROTEIN. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR63.
Descriptor:Indole-3-glycerol phosphate synthase, PHOSPHATE ION, DI(HYDROXYETHYL)ETHER
Authors:Vorobiev, S., Su, M., Bjelic, S., Kipnis, Y., Wang, L., Seetharaman, J., Sahdev, S., Xiao, R., Ciccosanti, C., Baker, D., Everett, J.K., Acton, T.B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-08-08
Release date:2011-08-24
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
3TC7
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CRYSTAL STRUCTURE OF ENGINEERED PROTEIN. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR62.
Descriptor:Indole-3-glycerol phosphate synthase, PHOSPHATE ION, ACETIC ACID
Authors:Vorobiev, S., Su, M., Bjelic, S., Kipnis, Y., Wang, L., Seetharaman, J., Sahdev, S., Xiao, R., Ciccosanti, C., Baker, D., Everett, J.K., Acton, T.B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-08-08
Release date:2011-08-24
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014