8FG6
 
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8GL3
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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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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: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.18 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: | 2024-10-30 | | 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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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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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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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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8D05
 | | Hallucinated C2 protein assembly HALC2_065 | | Descriptor: | HALC2_065 | | 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 (2.51 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D08
 | | Hallucinated C4 protein assembly HALC4_135 | | Descriptor: | HALC4_135 | | 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 (3.3 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D03
 | | Hallucinated C2 protein assembly HALC2_068 | | Descriptor: | HALC2_068 | | 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 (1.75 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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4GRH
 | | Crystal structure of pabB of Stenotrophomonas maltophilia | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Bera, A, Atanasova, V, Ladner, J.E, Parsons, J.F. | | Deposit date: | 2012-08-24 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of Aminodeoxychorismate Synthase from Stenotrophomonas maltophilia.
Biochemistry, 51, 2012
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8EJA
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6WI5
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8DT0
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6E6E
 | | DGY-06-116, a novel and selective covalent inhibitor of SRC kinase | | Descriptor: | N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gurbani, D, Bera, A, Westover, K. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
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7OPB
 | | IL7R in complex with an antagonist | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ... | | Authors: | Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N. | | Deposit date: | 2021-05-31 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
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9FDG
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8ERW
 | | Precisely patterned nanofibers made from extendable protein multiplexes | | Descriptor: | C2HR4_8r | | Authors: | Bick, M.J, Parmeggiani, F, Bethel, N.P, Sankaran, B, Baker, D. | | Deposit date: | 2022-10-12 | | Release date: | 2023-08-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
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8GA9
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8G8I
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