PDB: 5653 resultsInfo pagesStatus searchChemie searchBIRD

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6DLC	Designed protein DHD1:234_A, Designed protein DHD1:234_B Descriptor: Designed protein DHD1:234_A, Designed protein DHD1:234_B Authors: Bick, M.J, Chen, Z, Baker, D. Deposit date: 2018-05-31 Release date: 2018-12-26 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3.261 Å) Cite: Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
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
7VQW	de novo designed protein based on 1r26 Descriptor: de novo designed protein Authors: Zhang, L. Deposit date: 2021-10-20 Release date: 2022-06-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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
6L9X	Xenons in frog EPDR1 Descriptor: Ependymin-related 1, XENON Authors: Park, S. Deposit date: 2019-11-11 Release date: 2020-11-11 Last modified: 2021-05-26 Method: X-RAY DIFFRACTION (2.9 Å) Cite: De novo Phasing Xenons Observed in the Frog Ependymin-Related Protein Crystals, 10, 2020
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
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
5I30	Crystal structure of the human astrovirus 2 neutralizing monoclonal antibody PL-2 Fab fragment at 1.9 A resolution Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab PL-2 heavy chain, Fab PL-2 light chain Authors: Bogdanoff, W.A, DuBois, R.M. Deposit date: 2016-02-09 Release date: 2016-04-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: De Novo Sequencing and Resurrection of a Human Astrovirus-Neutralizing Antibody. Acs Infect Dis., 2, 2016
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
8OYV	De novo designed Claudin fold CLF_4 Descriptor: De novo designed soluble Claudin Authors: Pacesa, M, Correia, B.E. Deposit date: 2023-05-05 Release date: 2023-10-18 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
8OYX	De novo designed soluble GPCR-like fold GLF_18 Descriptor: De novo designed soluble GPCR-like protein, PHOSPHATE ION Authors: Pacesa, M, Correia, B.E. Deposit date: 2023-05-05 Release date: 2023-10-18 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
8OYW	De novo designed rhomboid protease-like fold RPF_9 Descriptor: De novo designed soluble Rhomboid protease-like protein, SODIUM ION Authors: Pacesa, M, Correia, B.E. Deposit date: 2023-05-05 Release date: 2023-10-18 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
4P6J	Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside Descriptor: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION Authors: Joh, N.H, Acharya, R, DeGrado, W.F. Deposit date: 2014-03-25 Release date: 2014-12-24 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: De novo design of a transmembrane Zn2+-transporting four-helix bundle. Science, 346, 2014
4P6K	Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase Descriptor: Computationally Designed Transporter of Zn(II) and Proton Authors: Joh, N.H, Acharya, R, DeGrado, W.F. Deposit date: 2014-03-25 Release date: 2014-12-24 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.704 Å) Cite: De novo design of a transmembrane Zn2+-transporting four-helix bundle. Science, 346, 2014
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
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
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
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
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
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
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
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
2MXG	NMR resolved structure of VG16KRKP, an antimicrobial peptide in D8PG micelles Descriptor: antimicrobial peptide Authors: Bhunia, A, Datta, A. Deposit date: 2015-01-01 Release date: 2015-02-04 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: De-novo design of antimicrobial peptides:insights into membrane permeabilisation, lipopolysachharide fragmentation and application in plant disease control To be Published
2MXH	NMR resolved structure of VG16KRKP, an antimicrobial peptide in SDS Descriptor: antimicrobial peptide Authors: Bhunia, A, Datta, A. Deposit date: 2015-01-01 Release date: 2015-02-04 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: De-novo design of antimicrobial peptides:insights into membrane permeabilisation, lipopolysachharide fragmentation and application in plant disease control To be Published
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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