7UDK
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![BU of 7udk by Molmil](/molmil-images/mine/7udk) | Crystal structure of designed helical repeat protein RPB_LRP2_R4 bound to LRPx4 peptide | Descriptor: | 4xLRP, Designed helical repeat protein (DHR) RPB_LRP2_R4 | Authors: | Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UDL
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![BU of 7udl by Molmil](/molmil-images/mine/7udl) | Crystal structure of designed helical repeat protein RPB_PLP1_R6 bound to PLPx6 peptide | Descriptor: | 1,2-ETHANEDIOL, 6xPLP Peptide, Designed helical repeat protein (DHR) RPB_PLP1_R6 | Authors: | Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UDN
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7UDM
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![BU of 7udm by Molmil](/molmil-images/mine/7udm) | Crystal structure of designed helical repeat protein RPB_PLP1_R6 in alternative conformation 1 (with peptide) | Descriptor: | 6xPLP, Designed helical repeat protein (DHR) RPB_PLP1_R6 | Authors: | Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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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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7UE2
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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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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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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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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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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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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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8YE0
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![BU of 8ye0 by Molmil](/molmil-images/mine/8ye0) | Crystal structure of KgpF prenyltransferase | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ... | Authors: | Hamada, K, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands. Angew.Chem.Int.Ed.Engl., 2024
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8W0Q
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![BU of 8w0q by Molmil](/molmil-images/mine/8w0q) | Pembrolizumab CDR-H3 Loop Mimic | Descriptor: | Pembrolizumab CDR-H3 Loop Mimic | Authors: | Feig, M, Roche, S.P. | Deposit date: | 2024-02-14 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics. Acs Chem.Biol., 2024
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6R0V
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6R0U
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![BU of 6r0u by Molmil](/molmil-images/mine/6r0u) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5a and hydrolysis product | Descriptor: | 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid, 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, ... | Authors: | Heim, C, Hartmann, M.D. | Deposit date: | 2019-03-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
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6R0S
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![BU of 6r0s by Molmil](/molmil-images/mine/6r0s) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 4a and hydrolysis product | Descriptor: | 2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione, 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid, CEREBLON ISOFORM 4, ... | Authors: | Heim, C, Hartmann, M.D. | Deposit date: | 2019-03-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
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6R0Q
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6R11
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![BU of 6r11 by Molmil](/molmil-images/mine/6r11) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b | Descriptor: | 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, Cereblon isoform 4, ... | Authors: | Heim, C, Hartmann, M.D. | Deposit date: | 2019-03-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
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6R13
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6R12
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6R18
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6R19
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![BU of 6r19 by Molmil](/molmil-images/mine/6r19) | |