8FJF
 
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8FJE
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8FJG
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8FAR
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8EOZ
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8EOV
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6WI5
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8EJA
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5V5N
 | | Crystal structure of Takinib bound to TAK1 | | 分子名称: | 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 | | 著者 | Gurbani, D, Westover, K, Bera, A.K. | | 登録日 | 2017-03-14 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | | 主引用文献 | 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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7LZ3
 | | Computational design of constitutively active cGAS | | 分子名称: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | | 著者 | 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. | | 登録日 | 2021-03-08 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | 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 | | 分子名称: | Integrin inhibitor | | 著者 | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | 登録日 | 2021-02-06 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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 | | 分子名称: | Integrin inhibitor | | 著者 | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | 登録日 | 2021-02-05 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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1YKS
 | | Crystal structure of yellow fever virus NS3 helicase | | 分子名称: | Genome polyprotein [contains: Flavivirin protease NS3 catalytic subunit] | | 著者 | Wu, J, Bera, A.K, Kuhn, R.J, Smith, J.L. | | 登録日 | 2005-01-18 | | 公開日 | 2005-08-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of the flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J.Virol., 79, 2005
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7RKC
 | | Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | | 分子名称: | ACETATE ION, D_3_633 | | 著者 | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | | 登録日 | 2021-07-22 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1MCZ
 | | BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE | | 分子名称: | (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ... | | 著者 | Polovnikova, E.S, Bera, A.K, Hasson, M.S. | | 登録日 | 2002-08-06 | | 公開日 | 2003-02-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and Kinetic Analysis of Catalysis by a Thiamin
Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase
Biochemistry, 42, 2003
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7K3H
 | | Crystal structure of deep network hallucinated protein 0217 | | 分子名称: | Network hallucinated protein 0217 | | 著者 | Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D. | | 登録日 | 2020-09-11 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | De novo protein design by deep network hallucination.
Nature, 600, 2021
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8T5E
 | | De novo design of high-affinity protein binders to bioactive helical peptides | | 分子名称: | Bcl-2-like protein 11, Bim_fulldiff | | 著者 | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | | 登録日 | 2023-06-13 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
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8T5F
 | | De novo design of high-affinity protein binders to bioactive helical peptides | | 分子名称: | Parathyroid hormone | | 著者 | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | | 登録日 | 2023-06-13 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
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7KXS
 | | Computational design of constitutively active cGAS | | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION | | 著者 | 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. | | 登録日 | 2020-12-04 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
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8CYK
 | | Crystal structure of hallucinated protein HALC1_878 | | 分子名称: | HALC1_878 | | 著者 | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | | 登録日 | 2022-05-23 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
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8D04
 | | Hallucinated C2 protein assembly HALC2_062 | | 分子名称: | HALC2_062 | | 著者 | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D07
 | | Hallucinated C3 protein assembly HALC3_109 | | 分子名称: | HALC3_109 | | 著者 | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D05
 | | Hallucinated C2 protein assembly HALC2_065 | | 分子名称: | HALC2_065 | | 著者 | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D08
 | | Hallucinated C4 protein assembly HALC4_135 | | 分子名称: | HALC4_135 | | 著者 | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D03
 | | Hallucinated C2 protein assembly HALC2_068 | | 分子名称: | HALC2_068 | | 著者 | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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