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: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of buttressed loops for sculpting protein functions. Nat.Chem.Biol., 20, 2024
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8FRF
| Homodimeric designed loop protein RBL7_C2_3 | Descriptor: | MALONATE ION, RBL7_C2_3 | Authors: | Jude, K.M, Jiang, H, Baker, D, Garcia, K.C. | Deposit date: | 2023-01-06 | Release date: | 2024-04-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | De novo design of buttressed loops for sculpting protein functions. Nat.Chem.Biol., 20, 2024
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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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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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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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7M0Q
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7DGU
| De novo designed protein H4A1R | Descriptor: | de novo designed protein H4A1R | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2020-11-12 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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8BFE
| A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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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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7KL9
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7JZN
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7JZL
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7JZM
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7JZU
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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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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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1Z70
| 1.15A resolution structure of the formylglycine generating enzyme FGE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-alpha-formyglycine-generating enzyme, ... | Authors: | Rudolph, M.G. | Deposit date: | 2005-03-23 | Release date: | 2005-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | De novo calcium/sulfur SAD phasing of the human formylglycine-generating enzyme using in-house data. Acta Crystallogr.,Sect.D, 61, 2005
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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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1O6J
| Tryparedoxin II from C.fasciculata solved by sulphur phasing | Descriptor: | TRYPAREDOXIN II | Authors: | Leonard, G.A, Micossi, E, Hunter, W.N. | Deposit date: | 2002-10-04 | Release date: | 2002-11-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures Acta Crystallogr.,Sect.D, 58, 2002
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1O81
| Tryparedoxin II from C.fasciculata solved by sulphur phasing | Descriptor: | SULFATE ION, TRYPAREDOXIN II | Authors: | Leonard, G.A, Micossi, E, Hunter, W.N. | Deposit date: | 2002-11-21 | Release date: | 2002-12-19 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures Acta Crystallogr.,Sect.D, 58, 2002
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3C9V
| C7 Symmetrized Structure of Unliganded GroEL at 4.7 Angstrom Resolution from CryoEM | Descriptor: | 60 kDa chaperonin | Authors: | Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W. | Deposit date: | 2008-02-18 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy. Structure, 16, 2008
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3CAU
| D7 symmetrized structure of unliganded GroEL at 4.2 Angstrom resolution by cryoEM | Descriptor: | 60 kDa chaperonin | Authors: | Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W. | Deposit date: | 2008-02-20 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy. Structure, 16, 2008
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4FIC
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3ZFS
| Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ... | Authors: | Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J. | Deposit date: | 2012-12-12 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy Elife, 2, 2013
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6CZH
| Structure of a redesigned beta barrel, mFAP0, bound to DFHBI | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0 | Authors: | Doyle, L.A, Stoddard, B.L. | Deposit date: | 2018-04-09 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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