8G9K
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3NQ8
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![BU of 3nq8 by Molmil](/molmil-images/mine/3nq8) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A | Descriptor: | BENZAMIDINE, NITRATE ION, 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 (1.4 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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3O6Y
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![BU of 3o6y by Molmil](/molmil-images/mine/3o6y) | Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-29 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
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3NPV
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![BU of 3npv by Molmil](/molmil-images/mine/3npv) | 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 (1.48 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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3NXF
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![BU of 3nxf by Molmil](/molmil-images/mine/3nxf) | Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-13 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
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3NNG
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![BU of 3nng by Molmil](/molmil-images/mine/3nng) | Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis. Northeast Structural Genomics Consortium Target BfR258E | Descriptor: | CALCIUM ION, uncharacterized protein | Authors: | Vorobiev, S, Su, M, Dimaio, F, Baker, D, Seetharaman, J, Janjua, J, Xiao, R, Ciccosanti, C, Foote, E.L, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-23 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis. To be Published
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3NQ2
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![BU of 3nq2 by Molmil](/molmil-images/mine/3nq2) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G | Descriptor: | IMIDAZOLE, 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 (2.02 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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3NR0
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![BU of 3nr0 by Molmil](/molmil-images/mine/3nr0) | 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: | 2023-11-01 | 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
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3NPX
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![BU of 3npx by Molmil](/molmil-images/mine/3npx) | 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 (1.79 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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3NQV
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![BU of 3nqv by Molmil](/molmil-images/mine/3nqv) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A | Descriptor: | BENZAMIDINE, 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 (1.7 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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3NPU
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![BU of 3npu by Molmil](/molmil-images/mine/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
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![BU of 3npw by Molmil](/molmil-images/mine/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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3Q2D
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![BU of 3q2d by Molmil](/molmil-images/mine/3q2d) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase | 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: | 2023-11-01 | 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
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5L33
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![BU of 5l33 by Molmil](/molmil-images/mine/5l33) | Crystal structure of a de novo designed protein with curved beta-sheet | Descriptor: | denovo NTF2 | Authors: | Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D. | Deposit date: | 2016-08-03 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017
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5KPE
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![BU of 5kpe by Molmil](/molmil-images/mine/5kpe) | Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664 | Descriptor: | De novo Beta Sheet Design Protein OR664 | Authors: | Tang, Y, Liu, G, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2016-07-03 | Release date: | 2016-09-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017
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3LEY
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![BU of 3ley by Molmil](/molmil-images/mine/3ley) | 2F5 Epitope scaffold elicited anti-HIV-1 monoclonal antibody 6a7 in complex with HIV-1 GP41 | Descriptor: | 6a7 Antibody Heavy Chain, 6a7 Antibody Light Chain, Envelope glycoprotein gp41, ... | Authors: | Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D. | Deposit date: | 2010-01-15 | Release date: | 2010-09-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Elicitation of structure-specific antibodies by epitope scaffolds. Proc.Natl.Acad.Sci.USA, 107, 2010
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3LEX
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![BU of 3lex by Molmil](/molmil-images/mine/3lex) | 2F5 Epitope scaffold elicited anti-HIV-1 monoclonal antibody 11F10 in complex with HIV-1 GP41 | Descriptor: | 11f10 Antibody Heavy Chain, 11f10 Antibody Light Chain, Envelope glycoprotein gp41 | Authors: | Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D. | Deposit date: | 2010-01-15 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Elicitation of structure-specific antibodies by epitope scaffolds. Proc.Natl.Acad.Sci.USA, 107, 2010
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8FJE
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![BU of 8fje by Molmil](/molmil-images/mine/8fje) | The five-repeat design E8 | Descriptor: | E8 | Authors: | Bera, A.K, An, L, Baker, D. | Deposit date: | 2022-12-19 | Release date: | 2023-09-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Hallucination of closed repeat proteins containing central pockets. Nat.Struct.Mol.Biol., 30, 2023
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8FJF
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![BU of 8fjf by Molmil](/molmil-images/mine/8fjf) | The three-repeat design H10 | Descriptor: | H10 | Authors: | Bera, A.K, An, L, Baker, D. | Deposit date: | 2022-12-19 | Release date: | 2023-09-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Hallucination of closed repeat proteins containing central pockets. Nat.Struct.Mol.Biol., 30, 2023
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8FJG
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![BU of 8fjg by Molmil](/molmil-images/mine/8fjg) | The two-repeat design H12 | Descriptor: | H12 | Authors: | Bera, A.K, An, L, Baker, D. | Deposit date: | 2022-12-19 | Release date: | 2023-09-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Hallucination of closed repeat proteins containing central pockets. Nat.Struct.Mol.Biol., 30, 2023
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4ESS
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![BU of 4ess by Molmil](/molmil-images/mine/4ess) | Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187 | Descriptor: | OR187 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-23 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9971 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4ETJ
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![BU of 4etj by Molmil](/molmil-images/mine/4etj) | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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8GJI
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![BU of 8gji by Molmil](/molmil-images/mine/8gji) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | GCG binder, Glucagon | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-03-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8GJG
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![BU of 8gjg by Molmil](/molmil-images/mine/8gjg) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | gluc_A04_0005, gluc_A04_0005 Binder | Authors: | Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A. | Deposit date: | 2023-03-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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4ETK
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![BU of 4etk by Molmil](/molmil-images/mine/4etk) | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | Descriptor: | De novo designed serine hydrolase, SODIUM ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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