1K4H
| CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one | Descriptor: | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE-TRANSGLYCOSYLASE, ZINC ION | Authors: | Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F. | Deposit date: | 2001-10-08 | Release date: | 2002-04-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity. Chembiochem, 3, 2002
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1FSV
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1FSD
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1FFQ
| CRYSTAL STRUCTURE OF CHITINASE A COMPLEXED WITH ALLOSAMIDIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE A | Authors: | Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K. | Deposit date: | 2000-07-26 | Release date: | 2003-02-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin. Acta Crystallogr.,Sect.D, 59, 2003
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1K4G
| CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE | Descriptor: | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | Authors: | Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F. | Deposit date: | 2001-10-08 | Release date: | 2002-04-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity. ChemBioChem, 3, 2002
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6L0L
| Hydra-1ubq de nova designed by Hydra based on ubiquitin | Descriptor: | Hydra-1ubq | Authors: | Ouyang, B. | Deposit date: | 2019-09-26 | Release date: | 2020-09-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Multiobjective heuristic algorithm for de novo protein design in a quantified continuous sequence space. Comput Struct Biotechnol J, 19, 2021
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2BE9
| Crystal structure of the CTP-liganded (T-State) aspartate transcarbamoylase from the extremely thermophilic archaeon Sulfolobus acidocaldarius | Descriptor: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | De Vos, D, Savvides, S.N, Van Beeumen, J.J. | Deposit date: | 2005-10-23 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of Sulfolobus acidocaldarius aspartate carbamoyltransferase in complex with its allosteric activator CTP. Biochem.Biophys.Res.Commun., 372, 2008
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2BE7
| Crystal structure of the unliganded (T-state) aspartate transcarbamoylase of the psychrophilic bacterium Moritella profunda | Descriptor: | Aspartate Carbamoyltransferase Catalytic Chain, Aspartate Carbamoyltransferase Regulatory Chain, SULFATE ION, ... | Authors: | De Vos, D, Savvides, S.N, Van Beeumen, J. | Deposit date: | 2005-10-23 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural investigation of cold activity and regulation of aspartate carbamoyltransferase from the extreme psychrophilic bacterium Moritella profunda. J.Mol.Biol., 365, 2007
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3FBX
| Crystal structure of the lysosomal 66.3 kDa protein from mouse solved by S-SAD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Lakomek, K, Dickmanns, A, Mueller, U, Ficner, R. | Deposit date: | 2008-11-20 | Release date: | 2009-03-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse Acta Crystallogr.,Sect.D, 65, 2009
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5L31
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5L32
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3B5L
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1EDQ
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1EKY
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7RKC
| Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | Descriptor: | ACETATE ION, D_3_633 | Authors: | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | Deposit date: | 2021-07-22 | Release date: | 2022-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets. Proc.Natl.Acad.Sci.USA, 119, 2022
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3HOJ
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1Q7O
| Determination of f-MLF-OH Peptide Structure with solid-state magic-angle spinning NMR Spectroscopy | Descriptor: | chemotactic peptide | Authors: | Rienstra, C.M, Tucker-Kellogg, L, Jaroniec, C.P, Hohwy, M, Reif, B, McMahon, M.T, Tidor, B, Lozano-Perez, T, Griffin, R.G. | Deposit date: | 2003-08-19 | Release date: | 2003-09-09 | Last modified: | 2022-03-02 | Method: | SOLID-STATE NMR | Cite: | De novo determination of peptide structure with solid-state magic-angle spinning NMR Spectroscopy Proc.Natl.Acad.Sci.USA, 99, 2002
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1PSV
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2MUZ
| ssNMR structure of a designed rocker protein | Descriptor: | designed rocker protein | Authors: | Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2015-01-14 | Method: | SOLUTION NMR | Cite: | De novo design of a transmembrane Zn2+-transporting four-helix bundle. Science, 346, 2014
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7QDI
| Structure of octameric left-handed 310-helix bundle: D-310HD | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ... | 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 (2.34 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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7QDJ
| Racemic structure of PK-10 and PK-11 | Descriptor: | GLYCEROL, MALONATE ION, PK-10+PK-11, ... | 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 (1.44 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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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
| 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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7VU4
| de novo design based on 1r26 | Descriptor: | de novo design protein | Authors: | Zhang, L. | Deposit date: | 2021-11-01 | Release date: | 2022-06-08 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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