6BF5
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![BU of 6bf5 by Molmil](/molmil-images/mine/6bf5) | Solution structure of de novo macrocycle design7.3a | Descriptor: | QDP(DPR)K(DTH)(DAS) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BEO
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![BU of 6beo by Molmil](/molmil-images/mine/6beo) | Solution structure of de novo macrocycle design9.1 | Descriptor: | (DPR)PY(DHI)PKDL(DGN) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BEQ
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![BU of 6beq by Molmil](/molmil-images/mine/6beq) | Solution structure of de novo macrocycle design10.1 | Descriptor: | AAR(DVA)(DPR)R(DLE)(DTH)PE | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BEU
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![BU of 6beu by Molmil](/molmil-images/mine/6beu) | Solution structure of de novo macrocycle design14_ss | Descriptor: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6UGC
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![BU of 6ugc by Molmil](/molmil-images/mine/6ugc) | C3 symmetric peptide design number 3 | Descriptor: | C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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5EC0
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![BU of 5ec0 by Molmil](/molmil-images/mine/5ec0) | Crystal Structure of Actin-like protein Alp7A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alp7A, GLYCEROL, ... | Authors: | Petek, N.A, Kraemer, J.A, Mullins, R.D, Agard, D.A, DiMaio, F, Baker, D. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of Alp7A reveal both conserved and unique features of plasmid segregation. To Be Published
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6B85
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![BU of 6b85 by Molmil](/molmil-images/mine/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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6UGB
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![BU of 6ugb by Molmil](/molmil-images/mine/6ugb) | C3 symmetric peptide design number 2, Baby Basil | Descriptor: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6DLM
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![BU of 6dlm by Molmil](/molmil-images/mine/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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5HRY
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![BU of 5hry by Molmil](/molmil-images/mine/5hry) | Computationally Designed Cyclic Dimer ank3C2_1 | Descriptor: | ank3C2_1 | Authors: | Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O. | Deposit date: | 2016-01-24 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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6DMA
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![BU of 6dma by Molmil](/molmil-images/mine/6dma) | DHD15_closed | Descriptor: | DHD15_closed_A, DHD15_closed_B | Authors: | Bick, M.J, Chen, Z, Baker, D. | Deposit date: | 2018-06-04 | Release date: | 2018-12-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.363 Å) | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
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6DKM
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![BU of 6dkm by Molmil](/molmil-images/mine/6dkm) | DHD131 | Descriptor: | DHD131_A, DHD131_B | Authors: | Bick, M.J, Chen, Z, Baker, D. | Deposit date: | 2018-05-29 | Release date: | 2018-12-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
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6DM9
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![BU of 6dm9 by Molmil](/molmil-images/mine/6dm9) | DHD15_extended | Descriptor: | DHD15_extended_A, DHD15_extended_B, SULFATE ION | Authors: | Bick, M.J, Chen, Z, Baker, D. | Deposit date: | 2018-06-04 | Release date: | 2018-12-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
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5EZR
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![BU of 5ezr by Molmil](/molmil-images/mine/5ezr) | Crystal Structure of PVX_084705 bound to compound | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-26 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PVX_084705 bound to compound To Be Published
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6C2V
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![BU of 6c2v by Molmil](/molmil-images/mine/6c2v) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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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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5V2O
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![BU of 5v2o by Molmil](/molmil-images/mine/5v2o) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-06 | Release date: | 2017-10-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6C2U
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![BU of 6c2u by Molmil](/molmil-images/mine/6c2u) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6D0T
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![BU of 6d0t by Molmil](/molmil-images/mine/6d0t) | De novo design of a fluorescence-activating beta barrel - BB1 | Descriptor: | BB1 | Authors: | Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D. | Deposit date: | 2018-04-10 | Release date: | 2018-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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7UWY
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![BU of 7uwy by Molmil](/molmil-images/mine/7uwy) | NMR solution structure of the De novo designed small beta-barrel protein 29_bp_sh3 | Descriptor: | De novo designed small beta-barrel protein 29_bp_sh3 | Authors: | Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D. | Deposit date: | 2022-05-04 | Release date: | 2023-03-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of small beta barrel proteins. Proc.Natl.Acad.Sci.USA, 120, 2023
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7UWZ
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![BU of 7uwz by Molmil](/molmil-images/mine/7uwz) | NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3 | Descriptor: | De novo designed small beta-barrel protein 33_bp_sh3 | Authors: | Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D. | Deposit date: | 2022-05-04 | Release date: | 2023-03-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of small beta barrel proteins. Proc.Natl.Acad.Sci.USA, 120, 2023
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7MWQ
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![BU of 7mwq by Molmil](/molmil-images/mine/7mwq) | Structure of De Novo designed beta sheet heterodimer LHD29A53/B53 | Descriptor: | LHD29A53, LHD29B53 | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D. | Deposit date: | 2021-05-17 | Release date: | 2022-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
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7MWR
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![BU of 7mwr by Molmil](/molmil-images/mine/7mwr) | Structure of De Novo designed beta sheet heterodimer LHD101A53/B4 | Descriptor: | LHD101A54, LHD101B4, MALONATE ION | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D. | Deposit date: | 2021-05-17 | Release date: | 2022-01-19 | 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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6DLC
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![BU of 6dlc by Molmil](/molmil-images/mine/6dlc) | |
5DYK
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![BU of 5dyk by Molmil](/molmil-images/mine/5dyk) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | Descriptor: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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