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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7VTY
 | | de novo designed protein | | Descriptor: | de novo designed protein | | Authors: | Zhang, L. | | Deposit date: | 2021-10-31 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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4P6J
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4P6K
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4P6L
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1J4M
 | | Minimized average structure of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12) | | Descriptor: | MBH12 | | Authors: | Pastor, M.T, Lopez de la Paz, M, Lacroix, E, Serrano, L, Perez-Paya, E. | | Deposit date: | 2001-10-10 | | Release date: | 2001-10-17 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides.
Proc.Natl.Acad.Sci.USA, 99, 2002
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8XYV
 | | De novo designed protein 0705-5 | | Descriptor: | De novo designed protein 0705-5 | | Authors: | Liu, J.L, Guo, Z, Lai, L.H. | | Deposit date: | 2024-01-20 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
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9CKV
 | | Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Werther, R, Nguyen, A, Estrada Alamo, K.A, Wang, X, Campbell, M.G. | | Deposit date: | 2024-07-09 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | De Novo Design of Integrin alpha5beta1 Modulating Proteins for Regenerative Medicine
To Be Published
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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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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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4ZV6
 | | Crystal structure of the artificial alpharep-7 octarellinV.1 complex | | Descriptor: | AlphaRep-7, Octarellin V.1 | | Authors: | Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. | | Deposit date: | 2015-05-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
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1EDQ
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1EKY
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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: | 2024-11-06 | | 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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7VG7
 | | Plexin B1 extracellular fragment in complex with lasso-grafted PB1m6A9 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, TRIETHYLENE GLYCOL, ... | | Authors: | Sugano, N.N, Hirata, K, Yamashita, K, Yamamoto, M, Arimori, T, Takagi, J. | | Deposit date: | 2021-09-14 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function.
Structure, 30, 2022
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7VF3
 | | Plexin B1 extracellular fragment in complex with lasso-grafted PB1m7 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Plexin-B1, ... | | Authors: | Sugano, N.N, Hirata, K, Yamashita, K, Yamamoto, M, Arimori, T, Takagi, J. | | Deposit date: | 2021-09-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function.
Structure, 30, 2022
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4UHU
 | | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A | | Descriptor: | ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D | | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-03-25 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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1FSV
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1FSD
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7RRO
 | | Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia | | Descriptor: | Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ... | | Authors: | Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A. | | Deposit date: | 2021-08-10 | | Release date: | 2021-10-27 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
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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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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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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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