6E9Z
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![BU of 6e9z by Molmil](/molmil-images/mine/6e9z) | DHF119 filament | Descriptor: | DHF119 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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6E9V
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![BU of 6e9v by Molmil](/molmil-images/mine/6e9v) | DHF79 filament | Descriptor: | DHF79 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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6E9T
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![BU of 6e9t by Molmil](/molmil-images/mine/6e9t) | DHF58 filament | Descriptor: | DHF58 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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6E9Y
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![BU of 6e9y by Molmil](/molmil-images/mine/6e9y) | DHF38 filament | Descriptor: | DHF38 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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1Y4C
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![BU of 1y4c by Molmil](/molmil-images/mine/1y4c) | Designed Helical Protein fusion MBP | Descriptor: | Maltose binding protein fused with designed helical protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | LaPorte, S.L, Forsyth, C.M, Cunningham, B.C, Miercke, L.J, Akhavan, D, Stroud, R.M. | Deposit date: | 2004-11-30 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of an IL-4 antagonist and its structure at 1.9 A. Proc.Natl.Acad.Sci.Usa, 102, 2005
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7UDJ
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![BU of 7udj by Molmil](/molmil-images/mine/7udj) | Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide | Descriptor: | 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4 | Authors: | Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7DKO
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![BU of 7dko by Molmil](/molmil-images/mine/7dko) | De novo design protein AM2M | Descriptor: | de novo designed protein AM2M | Authors: | Bin, H. | Deposit date: | 2020-11-25 | Release date: | 2021-12-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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4PEK
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![BU of 4pek by Molmil](/molmil-images/mine/4pek) | Crystal structure of a computationally designed retro-aldolase, RA114.3 | Descriptor: | Retro-aldolase | Authors: | Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C. | Deposit date: | 2014-04-23 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters. J.Am.Chem.Soc., 136, 2014
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4PEJ
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![BU of 4pej by Molmil](/molmil-images/mine/4pej) | Crystal structure of a computationally designed retro-aldolase, RA110.4 (Cys free) | Descriptor: | Retro-aldolase | Authors: | Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C. | Deposit date: | 2014-04-23 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters. J.Am.Chem.Soc., 136, 2014
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7XYQ
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![BU of 7xyq by Molmil](/molmil-images/mine/7xyq) | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | Deposit date: | 2022-06-02 | Release date: | 2023-04-12 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7XAD
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![BU of 7xad by Molmil](/molmil-images/mine/7xad) | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | Deposit date: | 2022-03-17 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7L33
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![BU of 7l33 by Molmil](/molmil-images/mine/7l33) | X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | Descriptor: | COPPER (II) ION, Cu-3SCC | Authors: | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | Deposit date: | 2020-12-17 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide Acs Catalysis, 11, 2021
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7JRQ
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![BU of 7jrq by Molmil](/molmil-images/mine/7jrq) | Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein | Descriptor: | CHLORIDE ION, GLYCEROL, MPP1, ... | Authors: | Mann, S.I, DeGrado, W.F. | Deposit date: | 2020-08-12 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species. J.Am.Chem.Soc., 143, 2021
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7LMX
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![BU of 7lmx by Molmil](/molmil-images/mine/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: | 2024-04-03 | 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
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![BU of 7lmv by Molmil](/molmil-images/mine/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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8UOS
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![BU of 8uos by Molmil](/molmil-images/mine/8uos) | |
7DKK
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![BU of 7dkk by Molmil](/molmil-images/mine/7dkk) | De novo design protein XM2H | Descriptor: | De novo design protein XM2H | Authors: | Bin, H. | Deposit date: | 2020-11-24 | Release date: | 2021-12-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7DGY
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![BU of 7dgy by Molmil](/molmil-images/mine/7dgy) | De novo designed protein H4C2R | Descriptor: | de novo designed protein H4C2R | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2020-11-12 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7RMX
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![BU of 7rmx by Molmil](/molmil-images/mine/7rmx) | Structure of De Novo designed tunable symmetric protein pockets | Descriptor: | Tunable symmetric protein, D_3_212 | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | Deposit date: | 2021-07-28 | Release date: | 2022-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets. Proc.Natl.Acad.Sci.USA, 119, 2022
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7K3H
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![BU of 7k3h by Molmil](/molmil-images/mine/7k3h) | Crystal structure of deep network hallucinated protein 0217 | Descriptor: | Network hallucinated protein 0217 | Authors: | Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D. | Deposit date: | 2020-09-11 | Release date: | 2021-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo protein design by deep network hallucination. Nature, 600, 2021
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7M0Q
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4AF0
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![BU of 4af0 by Molmil](/molmil-images/mine/4af0) | Crystal structure of cryptococcal inosine monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MYCOPHENOLIC ACID, ... | Authors: | Valkov, E, Stamp, A, Morrow, C.A, Kobe, B, Fraser, J.A. | Deposit date: | 2012-01-15 | Release date: | 2012-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | De Novo GTP Biosynthesis is Critical for Virulence of the Fungal Pathogen Cryptococcus Neoformans Plos Pathog., 8, 2012
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5A6N
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![BU of 5a6n by Molmil](/molmil-images/mine/5a6n) | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 | Descriptor: | 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | Deposit date: | 2015-06-30 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A6O
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![BU of 5a6o by Molmil](/molmil-images/mine/5a6o) | Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3) | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | Deposit date: | 2015-06-30 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology. Angew.Chem.Int.Ed.Engl., 54, 2015
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7JZU
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![BU of 7jzu by Molmil](/molmil-images/mine/7jzu) | |