7QDK
 
 | | A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ... | | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | | Deposit date: | 2021-11-27 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | X-RAY DIFFRACTION (1.41 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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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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5G37
 | | MR structure of the binary mosquito larvicide BinAB at pH 5 | | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | Deposit date: | 2016-04-24 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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7JZL
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7JZN
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7JZM
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7JZU
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7KL9
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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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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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7XZR
 | | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
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7XZQ
 | | Crystal structure of TNIK-thiopeptide TP1 complex | | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
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6N80
 | | S. aureus ClpP bound to anti-4a | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2018-11-28 | | Release date: | 2019-06-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX.
J.Med.Chem., 62, 2019
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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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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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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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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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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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4IH5
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4IH6
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4IH7
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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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