3UXD
 
 | | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | | Descriptor: | 5,7-dichloro-1H-benzotriazole, 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: | 2023-09-13 | | 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
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3UY7
 | | Designed protein KE59 R1 7/10H with G130S mutation | | Descriptor: | Kemp eliminase KE59 R1 7/10H, SODIUM ION, 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: | 2012-06-27 | | Last modified: | 2023-09-13 | | 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
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3UXA
 | | 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: | 2023-09-13 | | 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
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3Q9N
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | Descriptor: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | | 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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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3UZ5
 | | Designed protein KE59 R13 3/11H | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, 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: | 2023-09-13 | | 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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3UZJ
 | | Designed protein KE59 R13 3/11H with benzotriazole | | Descriptor: | 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, 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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.69 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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3UY8
 | | 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: | 2023-09-13 | | 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
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3TC6
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR63. | | Descriptor: | DI(HYDROXYETHYL)ETHER, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | | 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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
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3TC7
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR62. | | Descriptor: | ACETIC ACID, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | | 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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
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8GEL
 | | Cryo-EM structure of synthetic tetrameric building block sC4 | | Descriptor: | sC4 | | Authors: | Redler, R.L, Huddy, T.F, Hsia, Y, Baker, D, Ekiert, D, Bhabha, G. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
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3U13
 | | Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51 | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE 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: | 2023-12-06 | | 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
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3U1O
 | | THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49 | | Descriptor: | De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE 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: | 2023-12-06 | | 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
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4EGG
 | | Computationally Designed Self-assembling tetrahedron protein, T310 | | Descriptor: | GLYCEROL, Putative acetyltransferase SACOL2570 | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-03-30 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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4DQ1
 | | Thymidylate synthase from Staphylococcus aureus. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-02-14 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Thymidylate synthase from Staphylococcus aureus.
To be Published
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4DDF
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4 | | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-18 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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4DCL
 | | Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23 | | Descriptor: | Putative acetyltransferase SACOL2570 | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-17 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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3UAK
 | | 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: | 2023-12-06 | | 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
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4FB7
 | | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase | | Authors: | Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-22 | | Release date: | 2012-06-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
To be Published
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4D49
 | | Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | | Descriptor: | ARGININE, ARMADILLO REPEAT PROTEIN ARM00027, POLY ARG DECAPEPTIDE | | Authors: | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | | Deposit date: | 2014-10-27 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
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4D4E
 | | Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | | Descriptor: | ARMADILLO REPEAT PROTEIN ARM00016, GLYCEROL | | Authors: | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | | Deposit date: | 2014-10-28 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
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1PVH
 | | Crystal structure of leukemia inhibitory factor in complex with gp130 | | Descriptor: | IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor | | Authors: | Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C. | | Deposit date: | 2003-06-27 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130.
Mol.Cell, 12, 2003
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1QYS
 | | Crystal structure of Top7: A computationally designed protein with a novel fold | | Descriptor: | TOP7 | | Authors: | Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D. | | Deposit date: | 2003-09-11 | | Release date: | 2003-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
Science, 302, 2003
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4FFD
 | | Crystal structure of engineered protein. northeast structural genomics consortium target or48 | | Descriptor: | MAGNESIUM ION, PF00702 DOMAIN PROTEIN | | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-05-31 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of engineered protein. northeast structural genomics consortium target or48
To be Published
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4LT9
 | | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404 | | Descriptor: | Engineered Protein OR404 | | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of Engineered Protein OR404.
To be Published
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4NWP
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32 | | Descriptor: | AMMONIUM ION, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2013-12-06 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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