7JH6
 
 | | De novo designed two-domain di-Zn(II) and porphyrin-binding protein | | Descriptor: | NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ... | | Authors: | Schmidt, N, Liu, L, DeGrado, W.F. | | Deposit date: | 2020-07-20 | | Release date: | 2020-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8AH9
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2MTQ
 | | Solution Structure of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals | | Descriptor: | Designed Peptide | | Authors: | Plegaria, J.S, Zuiderweg, E.R, Stemmler, T.L, Pecoraro, V.L. | | Deposit date: | 2014-08-28 | | Release date: | 2015-04-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, alpha 3DIV, that Sequesters Toxic Heavy Metals.
Biochemistry, 54, 2015
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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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6W40
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5TPJ
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5TS4
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | DI(HYDROXYETHYL)ETHER, denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Chidyausiku, T.M, Marcos, E, Pereira, J.H, Sankaran, B, Zwart, P.H, Baker, D. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-25 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5TRV
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | DI(HYDROXYETHYL)ETHER, denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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6Z0L
 | | Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix | | Descriptor: | CADMIUM ION, Cys-N2 Strand, Positive Strand, ... | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | Deposit date: | 2020-05-09 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
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6Z0M
 | | Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix | | Descriptor: | Cys-Ncap strand, Positive Strand, SULFATE ION, ... | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | Deposit date: | 2020-05-09 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
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7BEY
 | | Het-N2-SO3- - De novo designed three-helix heterodimer with Cysteine S-sulfate at the N2 position of the alpha-helix | | Descriptor: | 'Cys-N2-SO3-' Strand, 'Positive' Strand, SULFATE ION | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
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3PBJ
 | | Hydrolytic catalysis and structural stabilization in a designed metalloprotein | | Descriptor: | CHLORIDE ION, COIL SER L9L-Pen L23H, MERCURY (II) ION, ... | | Authors: | Zastrow, M.L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2010-10-20 | | Release date: | 2011-11-30 | | Last modified: | 2022-05-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hydrolytic catalysis and structural stabilization in a designed metalloprotein.
Nat Chem, 4, 2012
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6LLQ
 | | Solution NMR structure of de novo Rossmann2x2 fold with most of the core mutated to valine, R2x2_VAL88 | | Descriptor: | VAL88 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Koga, R, Yamamoto, M, Kosugi, T, Koga, N. | | Deposit date: | 2019-12-23 | | Release date: | 2020-12-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Robust folding of a de novo designed ideal protein even with most of the core mutated to valine.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2CW1
 | | Solution structure of the de novo-designed lambda Cro fold protein | | Descriptor: | SN4m | | Authors: | Isogai, Y, Ito, Y, Ikeya, T, Shiro, Y, Ota, M. | | Deposit date: | 2005-06-15 | | Release date: | 2005-12-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Design of lambda Cro fold: solution structure of a monomeric variant of the de novo protein.
J.Mol.Biol., 354, 2005
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7OSV
 | | DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1) | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, DeNovoTIM6-SB, ... | | Authors: | Kordes, S, Romero-Romero, S, Hocker, B. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
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7P12
 | | DeNovoTIM13-SB, a de novo designed TIM barrel with a salt-bridge cluster | | Descriptor: | CHLORIDE ION, DeNovoTIM13-SB, PHOSPHATE ION | | Authors: | Kordes, S, Romero-Romero, S, Hocker, B. | | Deposit date: | 2021-07-01 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
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7OT8
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3V1A
 | | Crystal structure of de novo designed MID1-apo1 | | Descriptor: | Computational design, MID1-apo1 | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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3V1E
 | | Crystal structure of de novo designed MID1-zinc H12E mutant | | Descriptor: | Computational design, MID1-zinc H12E mutant, ZINC ION | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.073 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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3V1F
 | | Crystal structure of de novo designed MID1-zinc H35E mutant | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Computational design, ... | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.151 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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3V1D
 | | Crystal structure of de novo designed MID1-cobalt | | Descriptor: | COBALT (II) ION, Computational design, MID1-cobalt, ... | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.239 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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3V1C
 | | Crystal structure of de novo designed MID1-zinc | | Descriptor: | Computational design, MID1-zinc, L(+)-TARTARIC ACID, ... | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.129 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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3V1B
 | | Crystal structure of de novo designed MID1-apo2 | | Descriptor: | Computational design, MID1-apo2, GLYCEROL | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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6W3W
 | | An enumerative algorithm for de novo design of proteins with diverse pocket structures | | Descriptor: | DENOVO NTF2, NITRATE ION | | Authors: | Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8FBO
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