8FRE
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![BU of 8fre by Molmil](/molmil-images/mine/8fre) | Designed loop protein RBL4 | Descriptor: | 1,2-ETHANEDIOL, RBL4 | Authors: | Jude, K.M, Jiang, H, Baker, D, Garcia, K.C. | Deposit date: | 2023-01-06 | Release date: | 2024-04-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of buttressed loops for sculpting protein functions. Nat.Chem.Biol., 2024
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8FRF
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![BU of 8frf by Molmil](/molmil-images/mine/8frf) | |
7UHC
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![BU of 7uhc by Molmil](/molmil-images/mine/7uhc) | |
6M6Z
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![BU of 6m6z by Molmil](/molmil-images/mine/6m6z) | A de novo designed transmembrane nanopore, TMH4C4 | Descriptor: | TMH4C4 | Authors: | Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D. | Deposit date: | 2020-03-16 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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7UHB
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![BU of 7uhb by Molmil](/molmil-images/mine/7uhb) | |
6O35
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![BU of 6o35 by Molmil](/molmil-images/mine/6o35) | |
8CTO
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![BU of 8cto by Molmil](/molmil-images/mine/8cto) | |
8CUN
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![BU of 8cun by Molmil](/molmil-images/mine/8cun) | |
8CWA
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![BU of 8cwa by Molmil](/molmil-images/mine/8cwa) | |
3NNW
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![BU of 3nnw by Molmil](/molmil-images/mine/3nnw) | Crystal structure of P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NNX
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![BU of 3nnx by Molmil](/molmil-images/mine/3nnx) | Crystal structure of phosphorylated P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NNV
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![BU of 3nnv by Molmil](/molmil-images/mine/3nnv) | Crystal structure of P38 alpha in complex with DP437 | Descriptor: | 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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6TMS
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![BU of 6tms by Molmil](/molmil-images/mine/6tms) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | SULFATE ION, a novel designed pore protein, affinity purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-12-05 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6U1S
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![BU of 6u1s by Molmil](/molmil-images/mine/6u1s) | Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Computational Design of Transmembrane Channels To Be Published
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6TJ1
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![BU of 6tj1 by Molmil](/molmil-images/mine/6tj1) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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3NNU
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![BU of 3nnu by Molmil](/molmil-images/mine/3nnu) | Crystal structure of P38 alpha in complex with DP1376 | Descriptor: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3L56
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![BU of 3l56 by Molmil](/molmil-images/mine/3l56) | Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1) | Descriptor: | Polymerase PB2 | Authors: | Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-12-21 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biological and structural characterization of a host-adapting amino acid in influenza virus. Plos Pathog., 6, 2010
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7JZL
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![BU of 7jzl by Molmil](/molmil-images/mine/7jzl) | |
7JZN
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![BU of 7jzn by Molmil](/molmil-images/mine/7jzn) | |
7JZM
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![BU of 7jzm by Molmil](/molmil-images/mine/7jzm) | |
7JZU
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![BU of 7jzu by Molmil](/molmil-images/mine/7jzu) | |
7UBF
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![BU of 7ubf by Molmil](/molmil-images/mine/7ubf) | |
7UBD
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![BU of 7ubd by Molmil](/molmil-images/mine/7ubd) | |
7UBI
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![BU of 7ubi by Molmil](/molmil-images/mine/7ubi) | |
7UCP
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![BU of 7ucp by Molmil](/molmil-images/mine/7ucp) | computationally designed macrocycle | Descriptor: | computationally designed cyclic peptide D8.3.p2 | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | Deposit date: | 2022-03-17 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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