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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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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8GLT
 | | Backbone model of de novo-designed chlorophyll-binding nanocage O32-15 | | Descriptor: | C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15 | | Authors: | Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
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6TJ1
 | | Crystal structure of a de novo designed hexameric helical-bundle protein | | Descriptor: | De novo designed WSHC6, purification tag | | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | | Deposit date: | 2019-11-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computational design of transmembrane pores.
Nature, 585, 2020
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3JVE
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4NWR
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-28 | | Descriptor: | Macrophage migration inhibitory factor-like protein, integron gene cassette protein | | 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 (3.5 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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4NWO
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15 | | Descriptor: | CALCIUM ION, Chorismate mutase AroH, Molybdenum cofactor biosynthesis protein MogA | | 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 (2.8 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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3UYC
 | | 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: | 2023-09-13 | | 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
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4NWQ
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group F4132 | | Descriptor: | Putative uncharacterized protein PH0671, SULFATE ION, Uncharacterized protein | | 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 (2.8 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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3U1V
 | | 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: | 2024-10-30 | | 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
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3NPU
 | | 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: | 2023-11-01 | | 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
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3NPW
 | | 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: | 2023-11-01 | | 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
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6BES
 | | Solution structure of de novo macrocycle design11_ss | | Descriptor: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6WRW
 | | Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ... | | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6WRX
 | | Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6WRV
 | | Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ... | | Authors: | Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8GAB
 | | Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder | | Descriptor: | CTLA-4 binder, Cytotoxic T-lymphocyte protein 4, POTASSIUM ION | | Authors: | Yang, W, Almo, S.C, Baker, D, Ghosh, A. | | Deposit date: | 2023-02-22 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
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6BEW
 | | Solution structure of de novo macrocycle design7.2 | | Descriptor: | (DHI)P(DAS)(DGN)(DSN)(DGL)P | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BET
 | | Solution structure of de novo macrocycle design12_ss | | Descriptor: | H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BER
 | | Solution structure of de novo macrocycle design10.2 | | Descriptor: | E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BEQ
 | | Solution structure of de novo macrocycle design10.1 | | Descriptor: | AAR(DVA)(DPR)R(DLE)(DTH)PE | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BEU
 | | Solution structure of de novo macrocycle design14_ss | | Descriptor: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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2MDW
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3Q9U
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | | 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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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5HRY
 | | 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: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
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