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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6W2W
 | | Junction 24, DHR14-DHR18 | | Descriptor: | Junction 24 DHR14-DHR18 | | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | | Deposit date: | 2020-03-08 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W2Q
 | | Junction 34, DHR53-DHR4 | | Descriptor: | CALCIUM ION, Junction 34 | | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | | Deposit date: | 2020-03-08 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3D
 | | Rd1NTF2_05 with long sheet | | Descriptor: | Rd1NTF2_05 | | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.38 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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6W3G
 | | Rd1NTF2_04 with long sheet | | Descriptor: | Rd1NTF2_04 | | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 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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6W2R
 | | Junction 19, DHR54-DHR79 | | Descriptor: | Junction 19 DHR54-DHR79 | | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | | Deposit date: | 2020-03-08 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.344 Å) | | Cite: | Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3F
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6W40
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6B85
 | | Crystal structure of transmembrane protein TMHC4_R | | Descriptor: | TMHC4_R | | Authors: | Lu, P, DiMaio, F, Min, D, Bowie, J, Wei, K.Y, Baker, D. | | Deposit date: | 2017-10-05 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.889 Å) | | Cite: | Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
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6B87
 | | Crystal structure of transmembrane protein TMHC2_E | | Descriptor: | TMHC2_E | | Authors: | Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D. | | Deposit date: | 2017-10-05 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.947 Å) | | Cite: | Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
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6WI5
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6WHO
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHN
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHQ
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHZ
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WI3
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WMK
 | | Crystal structure of beta sheet heterodimer LHD29 | | Descriptor: | Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B | | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2020-04-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
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6X1K
 | | Solution NMR structure of de novo designed TMB2.3 | | Descriptor: | De novo designed transmembrane beta-barrel TMB2.3 | | Authors: | Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K. | | Deposit date: | 2020-05-19 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | De novo design of transmembrane beta barrels.
Science, 371, 2021
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6X9Z
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1YSB
 | | Yeast Cytosine Deaminase Triple Mutant | | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | | Deposit date: | 2005-02-08 | | Release date: | 2005-05-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational thermostabilization of an enzyme.
Science, 308, 2005
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1YSD
 | | Yeast Cytosine Deaminase Double Mutant | | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | | Deposit date: | 2005-02-08 | | Release date: | 2005-05-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computational thermostabilization of an enzyme.
Science, 308, 2005
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3GEQ
 | | Structural basis for the chemical rescue of Src kinase activity | | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Muratore, K.E, Seeliger, M.A, Wang, Z, Fomina, D, Neiswinger, J, Havranek, J.J, Baker, D, Kuriyan, J, Cole, P.A. | | Deposit date: | 2009-02-25 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative analysis of mutant tyrosine kinase chemical rescue.
Biochemistry, 48, 2009
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7CBC
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6DLM
 | | DHD127 | | Descriptor: | DHD127_A, DHD127_B | | Authors: | Bick, M.J, Chen, Z, Baker, D. | | Deposit date: | 2018-06-01 | | Release date: | 2018-12-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.753 Å) | | Cite: | Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
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5BRV
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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