5UP5
 
 | | Solution structure of the de novo mini protein EHEE_rd1_0284 | | Descriptor: | EHEE_rd1_0284 | | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | | Deposit date: | 2017-02-01 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
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5KAY
 | | Structure of Spelter bound to Zn2+ | | Descriptor: | SODIUM ION, Spelter, ZINC ION | | Authors: | Guffy, S.L, Der, B.S, Kuhlman, B. | | Deposit date: | 2016-06-02 | | Release date: | 2016-08-03 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the minimal determinants of zinc binding with computational protein design.
Protein Eng.Des.Sel., 29, 2016
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6XY1
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6XY0
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6XXZ
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5UP1
 | | Solution structure of the de novo mini protein EEHEE_rd3_1049 | | Descriptor: | EEHEE_rd3_1049 | | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | | Deposit date: | 2017-02-01 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
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8UZL
 | | Designed Transmembrane beta-barrel- TMB10_163 | | Descriptor: | Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL | | Authors: | Bera, A.K, Lemma, S.B, Kang, A, Baker, D. | | Deposit date: | 2023-11-15 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Sculpting conducting nanopore size and shape through de novo protein design
Science, 2024
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1KYC
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1HQJ
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7TYD
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8VSW
 | | 4-MERCAPTOPHENOL-ALPHA3C | | Descriptor: | 4-mercaptophenol-alpha3C protein, 4-sulfanylphenol | | Authors: | Tommos, C. | | Deposit date: | 2024-01-24 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein.
Chem Sci, 15, 2024
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6VFL
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7N1K
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2KPO
 | | Solution NMR structure of de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16 | | Descriptor: | rossmann 2x2 fold protein | | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Hamilton, K, Ciccosanti, C, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-17 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of denovo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
To be Published
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6OHH
 | | Structure of EF1p2_mFAP2b bound to DFHBI | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2019-04-05 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021
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4D8H
 | | Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein | | Authors: | Blaber, M, Longo, L. | | Deposit date: | 2012-01-10 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3LJM
 | | Structure of de novo designed apo peptide coil SER L9C | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, COIL SER L9C, ... | | Authors: | Chakraborty, S. | | Deposit date: | 2010-01-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural comparisons of apo- and metalated three-stranded coiled coils clarify metal binding determinants in thiolate containing designed peptides.
J.Am.Chem.Soc., 132, 2010
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6MCD
 | | Crystal Structure of tris-thiolate Pb(II) complex with adjacent water in a de novo Three Stranded Coiled Coil Peptide | | Descriptor: | LEAD (II) ION, Pb(II)(GRAND Coil Ser L12CL16A)-, ZINC ION | | Authors: | Tolbert, A.E, Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2018-08-31 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Heteromeric three-stranded coiled coils designed using a Pb(II)(Cys)3template mediated strategy.
Nat.Chem., 12, 2020
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8QAA
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8QAE
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8QAG
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8QAH
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2LSE
 | | Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188 | | Descriptor: | Four Helix Bundle Protein | | Authors: | Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-28 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188
To be Published
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4C5D
 | | Crystal structure of Bcl-xL in complex with benzoylurea compound (42) | | Descriptor: | (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
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4C52
 | | Crystal structure of Bcl-xL in complex with benzoylurea compound (39b) | | Descriptor: | (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2013-09-10 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
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