1FSD
 
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6FC9
 | | The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex | | Descriptor: | DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | | Authors: | Santana, A, Serrano, I, Montalvillo-Jimenez, L, Corzana, F, Bastida, A, Jimenez-Barbero, J, Gonzalez, C, Asensio, J.L. | | Deposit date: | 2017-12-20 | | Release date: | 2019-04-10 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot.
Chemistry, 2020
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3B5L
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3HOJ
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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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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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2K6R
 | | Protein folding on a highly rugged landscape: Experimental observation of glassy dynamics and structural frustration | | Descriptor: | Full Sequence Design 1 Synthetic Superstable | | Authors: | Sadqi, M, de Alba, E, Perez-Jimenez, R, Sanchez-Ruiz, J.M, Munoz, V. | | Deposit date: | 2008-07-18 | | Release date: | 2009-06-16 | | Last modified: | 2016-06-08 | | Method: | SOLUTION NMR | | Cite: | A designed protein as experimental model of primordial folding
Proc.Natl.Acad.Sci.USA, 106, 2009
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8BFD
 | | Racemic structure of PK-7 (310HD-U2U5) | | Descriptor: | 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
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5FQQ
 | | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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5FQM
 | | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | | Descriptor: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | | Authors: | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | | Deposit date: | 2015-12-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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5FQK
 | | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) | | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.767 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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8TO0
 | | 48-nm repeating structure of doublets from mouse sperm flagella | | Descriptor: | Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | | Authors: | Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A. | | Deposit date: | 2023-08-02 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking.
Cell, 186, 2023
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5FQJ
 | | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.271 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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5FQI
 | | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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5I30
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6XS7
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2 | | Descriptor: | 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ... | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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6XSA
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2 | | Descriptor: | 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29 | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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6XS5
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1 | | Descriptor: | 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ... | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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6XS8
 | | Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3 | | Descriptor: | 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29 | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95009851 Å) | | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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6XS9
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ... | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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5L31
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5L32
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5TGY
 | | NMR structure of holo-PS1 | | Descriptor: | PS1, [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc | | Authors: | Polizzi, N.F, Wu, Y. | | Deposit date: | 2016-09-28 | | Release date: | 2017-08-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy.
Nat Chem, 9, 2017
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5TGW
 | | NMR structure of apo-PS1 | | Descriptor: | PS1 | | Authors: | Polizzi, N.F, Wu, Y. | | Deposit date: | 2016-09-28 | | Release date: | 2017-08-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy.
Nat Chem, 9, 2017
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