8VC8
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1YKS
| Crystal structure of yellow fever virus NS3 helicase | Descriptor: | Genome polyprotein [contains: Flavivirin protease NS3 catalytic subunit] | Authors: | Wu, J, Bera, A.K, Kuhn, R.J, Smith, J.L. | Deposit date: | 2005-01-18 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing. J.Virol., 79, 2005
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5V5N
| Crystal structure of Takinib bound to TAK1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | Authors: | Gurbani, D, Westover, K, Bera, A.K. | Deposit date: | 2017-03-14 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease. Cell Chem Biol, 24, 2017
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1MCZ
| BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE | Descriptor: | (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ... | Authors: | Polovnikova, E.S, Bera, A.K, Hasson, M.S. | Deposit date: | 2002-08-06 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Kinetic Analysis of Catalysis by a Thiamin
Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase Biochemistry, 42, 2003
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8GA6
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8G9J
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8GL3
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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
| 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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8UGC
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8T5E
| De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Bcl-2-like protein 11, Bim_fulldiff | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8U5A
| Improving protein expression, stability, and function with ProteinMPNN | Descriptor: | Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kalvet, I, Bera, A.K, Baker, D. | Deposit date: | 2023-09-12 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improving Protein Expression, Stability, and Function with ProteinMPNN. J.Am.Chem.Soc., 146, 2024
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8T5F
| De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Parathyroid hormone | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8CYK
| Crystal structure of hallucinated protein HALC1_878 | Descriptor: | HALC1_878 | Authors: | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | Deposit date: | 2022-05-23 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Robust deep learning-based protein sequence design using ProteinMPNN. Science, 378, 2022
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7RKC
| Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | Descriptor: | ACETATE ION, D_3_633 | Authors: | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | Deposit date: | 2021-07-22 | Release date: | 2022-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets. Proc.Natl.Acad.Sci.USA, 119, 2022
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7K3H
| Crystal structure of deep network hallucinated protein 0217 | Descriptor: | Network hallucinated protein 0217 | Authors: | Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D. | Deposit date: | 2020-09-11 | Release date: | 2021-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo protein design by deep network hallucination. Nature, 600, 2021
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7KXS
| Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2020-12-04 | Release date: | 2021-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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7LMX
| A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-06 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7LMV
| SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7M0Q
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7LZ3
| Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2021-03-08 | Release date: | 2022-03-16 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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8D04
| Hallucinated C2 protein assembly HALC2_062 | Descriptor: | HALC2_062 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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8D09
| Hallucinated C4 protein assembly HALC4_136 | Descriptor: | HALC4_136 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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8D06
| Hallucinated C3 protein assembly HALC3_104 | Descriptor: | HALC3_104 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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8D07
| Hallucinated C3 protein assembly HALC3_109 | Descriptor: | HALC3_109 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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