4IX0
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![BU of 4ix0 by Molmil](/molmil-images/mine/4ix0) | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | Descriptor: | NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | Authors: | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | Deposit date: | 2013-01-24 | Release date: | 2013-08-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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4IWW
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![BU of 4iww by Molmil](/molmil-images/mine/4iww) | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | Descriptor: | COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | Authors: | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | Deposit date: | 2013-01-24 | Release date: | 2013-08-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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4J9T
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![BU of 4j9t by Molmil](/molmil-images/mine/4j9t) | Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61 | Descriptor: | ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-17 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 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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8TCG
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![BU of 8tcg by Molmil](/molmil-images/mine/8tcg) | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.4 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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1VJQ
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![BU of 1vjq by Molmil](/molmil-images/mine/1vjq) | |
8UBG
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![BU of 8ubg by Molmil](/molmil-images/mine/8ubg) | DpHF19 filament | Descriptor: | DpHF19,Green fluorescent protein (Fragment) | Authors: | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | Deposit date: | 2023-09-22 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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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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6B87
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![BU of 6b87 by Molmil](/molmil-images/mine/6b87) | Crystal structure of transmembrane protein TMHC2_E | Descriptor: | TMHC2_E | Authors: | Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D. | Deposit date: | 2017-10-05 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.947 Å) | Cite: | Accurate computational design of multipass transmembrane proteins. Science, 359, 2018
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2XYY
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![BU of 2xyy by Molmil](/molmil-images/mine/2xyy) | De Novo model of Bacteriophage P22 procapsid coat protein | Descriptor: | COAT PROTEIN | Authors: | Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W. | Deposit date: | 2010-11-19 | Release date: | 2011-02-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus. Proc.Natl.Acad.Sci.USA, 108, 2011
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8UAO
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![BU of 8uao by Molmil](/molmil-images/mine/8uao) | DpHF18 filament | Descriptor: | DpHF18 | Authors: | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | Deposit date: | 2023-09-21 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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8UB3
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![BU of 8ub3 by Molmil](/molmil-images/mine/8ub3) | DpHF7 filament | Descriptor: | DpHF7 filament | Authors: | Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D. | Deposit date: | 2023-09-22 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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5K7V
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![BU of 5k7v by Molmil](/molmil-images/mine/5k7v) | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein HR00C3 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-05-26 | Release date: | 2017-04-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.165 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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5KBA
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![BU of 5kba by Molmil](/molmil-images/mine/5kba) | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein ANK1C2 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-06-02 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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6N4N
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![BU of 6n4n by Molmil](/molmil-images/mine/6n4n) | Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | Authors: | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | Deposit date: | 2018-11-19 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Multi-input chemical control of protein dimerization for programming graded cellular responses. Nat.Biotechnol., 37, 2019
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2XYZ
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![BU of 2xyz by Molmil](/molmil-images/mine/2xyz) | De Novo model of Bacteriophage P22 virion coat protein | Descriptor: | COAT PROTEIN | Authors: | Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W. | Deposit date: | 2010-11-19 | Release date: | 2011-02-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus. Proc.Natl.Acad.Sci.USA, 108, 2011
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8UGC
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![BU of 8ugc by Molmil](/molmil-images/mine/8ugc) | |
8U5A
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![BU of 8u5a by Molmil](/molmil-images/mine/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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5BRU
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![BU of 5bru by Molmil](/molmil-images/mine/5bru) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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5BRW
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![BU of 5brw by Molmil](/molmil-images/mine/5brw) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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5BRV
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![BU of 5brv by Molmil](/molmil-images/mine/5brv) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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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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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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4A29
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![BU of 4a29 by Molmil](/molmil-images/mine/4a29) | Structure of the engineered retro-aldolase RA95.0 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0 | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-23 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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4A2R
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![BU of 4a2r by Molmil](/molmil-images/mine/4a2r) | Structure of the engineered retro-aldolase RA95.5-5 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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