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3I1C
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CRYSTAL STRUCTURE OF A NOVEL ENGINEERED DIELS-ALDERASE: DA_20_00_A74I
Descriptor:Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R., Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
3NPU
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION
Descriptor:deoxyribose phosphate aldolase
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPV
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION
Descriptor:deoxyribose phosphate aldolase
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPW
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IN SILICO DESIGNED OF AN IMPROVED KEMP ELIMINASE KE70 MUTANT BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION
Descriptor:deoxyribose phosphate aldolase
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPX
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION
Descriptor:deoxyribose phosphate aldolase
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NQ2
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION R2 3/5G
Descriptor:deoxyribose phosphate aldolase, IMIDAZOLE
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NQ8
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION R4 8/5A
Descriptor:deoxyribose phosphate aldolase, NITRATE ION, BENZAMIDINE
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NQV
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION R5 7/4A
Descriptor:deoxyribose phosphate aldolase, BENZAMIDINE
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NR0
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION R6 6/10A
Descriptor:deoxyribose phosphate aldolase
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Dym, O., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-30
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NYD
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CRYSTAL STRUCTURE OF KEMP ELIMINASE HG-2 COMPLEXED WITH TRANSITION STATE ANALOG 5-NITRO BENZOTRIAZOLE
Descriptor:Endo-1,4-beta-xylanase, 5-nitro-1H-benzotriazole, ACETATE ION, ...
Authors:Lee, T.M., Privett, H.K., Kaiser, J.T., Mayo, S.L.
Deposit date:2010-07-14
Release date:2011-06-29
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NYZ
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CRYSTAL STRUCTURE OF KEMP ELIMINATION CATALYST 1A53-2
Descriptor:Indole-3-glycerol phosphate synthase, SULFATE ION
Authors:Lee, T.M., Privett, H.K., Kaiser, J.T., Mayo, S.L.
Deposit date:2010-07-15
Release date:2011-06-29
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.514 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NZ1
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CRYSTAL STRUCTURE OF KEMP ELIMINATION CATALYST 1A53-2 COMPLEXED WITH TRANSITION STATE ANALOG 5-NITRO BENZOTRIAZOLE
Descriptor:Indole-3-glycerol phosphate synthase, 5-nitro-1H-benzotriazole, SULFATE ION, ...
Authors:Lee, T.M., Privett, H.K., Kaiser, J.T., Mayo, S.L.
Deposit date:2010-07-15
Release date:2011-06-29
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3O2L
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CRYSTAL STRUCTURE OF AN INACTIVE KEMP ELIMINATION DESIGN HG-1
Descriptor:Endo-1,4-beta-xylanase
Authors:Thomas, L.M., Privett, H.K., Mayo, S.L.
Deposit date:2010-07-22
Release date:2011-07-20
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3Q2D
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OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION
Descriptor:Deoxyribose phosphate aldolase, 5-nitro-1H-benzotriazole
Authors:Khersonsky, O., Rothlisberge, D., Wollacott, A.M., Murphy, P., Dym, O., Albeck, S., Kiss, G., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2010-12-20
Release date:2011-02-09
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3U0S
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CRYSTAL STRUCTURE OF AN ENZYME REDESIGNED THROUGH MULTIPLAYER ONLINE GAMING: CE6
Descriptor:Diisopropyl-fluorophosphatase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Bale, J.B., Shen, B.W., Stoddard, B.L.
Deposit date:2011-09-29
Release date:2012-02-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
3U13
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CRYSTAL STRUCTURE OF DE NOVO DESIGN OF CYSTEIN ESTERASE ECH13 AT THE RESOLUTION 1.6A, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR51
Descriptor:artificial protein OR51, PHOSPHATE ION, MAGNESIUM ION, ...
Authors:Kuzin, A., Su, M., Seetharaman, J., Sahdev, S., Xiao, R., Kohan, E., Richter, F., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-11-23
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1O
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THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR49
Descriptor:De Novo design cysteine esterase ECH19, SULFATE ION, SODIUM ION
Authors:Kuzin, A., Su, M., Lew, S., Forouhar, F., Seetharaman, J., Daya, P., Xiao, R., Ciccosanti, C., Richter, F., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-10-26
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1V
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X-RAY STRUCTURE OF DE NOVO DESIGN CYSTEINE ESTERASE FR29, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR52
Descriptor:De Novo design cysteine esterase FR29
Authors:Kuzin, A., Su, M., Vorobiev, S.M., Seetharaman, J., Patel, D., Xiao, R., Ciccosanti, C., Richter, F., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3UAK
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CRYSTAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH14, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR54
Descriptor:De Novo designed cysteine esterase ECH14
Authors:Kuzin, A., Su, M., Seetharaman, J., Sahdev, S., Xiao, R., Ciccosanti, C., Richter, F., Everett, J.K., Nair, R., Acton, T.B., Rost, B., Baker, D., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-21
Release date:2011-12-07
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3UXA
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DESIGNED PROTEIN KE59 R1 7/10H
Descriptor:Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION
Authors:Khersonsky, O., Kiss, G., Roethlisberger, D., Dym, O., Albeck, S., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-05
Release date:2012-06-06
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UXD
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DESIGNED PROTEIN KE59 R1 7/10H WITH DICHLOROBENZOTRIAZOLE (DBT)
Descriptor:Kemp eliminase KE59 R1 7/10H, 5,7-dichloro-1H-benzotriazole, PHOSPHATE ION
Authors:Khersonsky, O., Kiss, G., Roethlisberger, D., Dym, O., Albeck, S., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-05
Release date:2012-06-06
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UY7
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DESIGNED PROTEIN KE59 R1 7/10H WITH G130S MUTATION
Descriptor:Kemp eliminase KE59 R1 7/10H, SULFATE ION, SODIUM ION
Authors:Khersonsky, O., Kiss, G., Roethlisberger, D., Dym, O., Albeck, S., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-06
Release date:2012-06-27
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UY8
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DESIGNED PROTEIN KE59 R5_11/5F
Descriptor:Kemp eliminase KE59 R5_11/5F, SULFATE ION
Authors:Khersonsky, O., Kiss, G., Roethlisberger, D., Dym, O., Albeck, S., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-06
Release date:2012-06-06
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UYC
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DESIGNED PROTEIN KE59 R8_2/7A
Descriptor:Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION
Authors:Khersonsky, O., Kiss, G., Roethlisberger, D., Dym, O., Albeck, S., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-06
Release date:2012-06-06
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UZ5
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DESIGNED PROTEIN KE59 R13 3/11H
Descriptor:Kemp eliminase KE59 R13 3/11H, 5,7-dichloro-1H-benzotriazole, PHOSPHATE ION, ...
Authors:Khersonsky, O., Kiss, G., Roethlisberger, D., Dym, O., Albeck, S., Houk, K.N., Baker, D., Tawfik, D.S., Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-07
Release date:2012-06-06
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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