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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
7MGQ	AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans Descriptor: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION Authors: Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A. Deposit date: 2021-04-13 Release date: 2022-04-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.67 Å) Cite: AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans. J.Biol.Chem., 298, 2022
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
3P6J	Crystal structure of Symfoil-4T Permutation #3: de novo designed beta-trefoil architecture with symmetric primary structure Descriptor: de novo designed beta-trefoil architecture with symmetric primary structure Authors: Blaber, M, Lee, J. Deposit date: 2010-10-11 Release date: 2011-10-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Permutations study of de novo designed symmetric beta-trefoil architecture To be Published
8AH9	De novo retro-aldolase RAbetaB-16.1 Descriptor: BENZOIC ACID, RAbetaB-16.1 Authors: Mittl, P, Oualb Chaib, A, Hilvert, D. Deposit date: 2022-07-21 Release date: 2023-08-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.747 Å) Cite: Design and optimization of enzymatic activity in a de novo beta-barrel scaffold. Protein Sci., 31, 2022
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
6W40	An enumerative algorithm for de novo design of proteins with diverse pocket structures Descriptor: DENOVO NTF2 Authors: Bera, A.K, Basanta, B, Sankaran, B, Baker, D. Deposit date: 2020-03-09 Release date: 2020-04-08 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.49 Å) Cite: An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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
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
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
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
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
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
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
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
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
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
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
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
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
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
8FBK	Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains Descriptor: KWOCA_65 Authors: Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P. Deposit date: 2022-11-29 Release date: 2023-03-22 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains. Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ	Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains Descriptor: KWOCA_60 Authors: Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P. Deposit date: 2022-11-29 Release date: 2023-03-22 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains. Proc.Natl.Acad.Sci.USA, 120, 2023
8FBO	Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains Descriptor: KWOCA_102 Authors: Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P. Deposit date: 2022-11-29 Release date: 2023-03-22 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains. Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN	Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains Descriptor: KWOCA_73 Authors: Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P. Deposit date: 2022-11-29 Release date: 2023-03-22 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (3.04 Å) Cite: Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains. Proc.Natl.Acad.Sci.USA, 120, 2023

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