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4IH5	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds Descriptor: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase Authors: Harris, S.F, Ghate, M. Deposit date: 2012-12-18 Release date: 2013-07-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013
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
4IH6	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds Descriptor: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase Authors: Harris, S.F, Wong, A. Deposit date: 2012-12-18 Release date: 2013-07-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013
4IH7	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds Descriptor: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION Authors: Harris, S.F, Wong, A. Deposit date: 2012-12-18 Release date: 2013-07-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013
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
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
5L31	Crystal structure of an engineered metal-free RIDC1 variant containing five disulfide bonds. Descriptor: HEME C, SODIUM ION, Soluble cytochrome b562 Authors: Tezcan, F.A, Churchfield, L.A. Deposit date: 2016-08-02 Release date: 2016-11-09 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds. J.Am.Chem.Soc., 138, 2016
5KP9	Structure of Nanoparticle Released from Enveloped Protein Nanoparticle Descriptor: EPN-01* Authors: Votteler, J, Ogohara, C, Yi, S, Hsia, Y, Natterman, U, Belnap, D.M, King, N.P, Sundquist, W.I. Deposit date: 2016-07-02 Release date: 2016-12-07 Last modified: 2019-12-11 Method: ELECTRON MICROSCOPY (5.7 Å) Cite: Designed proteins induce the formation of nanocage-containing extracellular vesicles. Nature, 540, 2016
5L32	Crystal structure of the Zn-RIDC1 complex bearing six interfacial disulfide bonds Descriptor: HEME C, HEXAETHYLENE GLYCOL, Soluble cytochrome b562, ... Authors: Churchfield, L.A, Tezcan, F.A. Deposit date: 2016-08-02 Release date: 2016-11-09 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds. J.Am.Chem.Soc., 138, 2016
7COQ	Hexameric Ring Complex of Engineered V1-ATPase bound to AMP-PNP: A3(De)3_(ANP)1cat Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, V-type sodium ATPase catalytic subunit A, ... Authors: Kosugi, T, Tanabe, M, Koga, N. Deposit date: 2020-08-05 Release date: 2021-08-11 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.44 Å) Cite: De Novo Design of Allosteric Control into Rotary Motor V1-ATPase by Restoring Lost Function To Be Published
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
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
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
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
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
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
1PSV	COMPUTATIONALLY DESIGNED PEPTIDE WITH A BETA-BETA-ALPHA FOLD SELECTION, NMR, 32 STRUCTURES Descriptor: PDA8D Authors: Dahiyat, B.I, Sarisky, C.A, Mayo, S.L. Deposit date: 1997-10-29 Release date: 1998-01-28 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: De novo protein design: towards fully automated sequence selection. J.Mol.Biol., 273, 1997
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
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
1FSV	FULL SEQUENCE DESIGN 1 (FSD-1) OF BETA BETA ALPHA MOTIF, NMR, MINIMIZED AVERAGE STRUCTURE Descriptor: FULL SEQUENCE DESIGN 1 OF BETA BETA ALPHA MOTIF Authors: Dahiyat, B.I, Mayo, S.L. Deposit date: 1997-10-26 Release date: 1998-01-28 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: De novo protein design: fully automated sequence selection. Science, 278, 1997
1FSD	FULL SEQUENCE DESIGN 1 (FSD-1) OF BETA BETA ALPHA MOTIF, NMR, 41 STRUCTURES Descriptor: FULL SEQUENCE DESIGN 1 OF BETA BETA ALPHA MOTIF Authors: Dahiyat, B.I, Mayo, S.L. Deposit date: 1997-06-09 Release date: 1997-11-12 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: De novo protein design: fully automated sequence selection. Science, 278, 1997
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
2V9G	L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT Q6Y- L84W-E192A) Descriptor: L(+)-TARTARIC ACID, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION Authors: Grueninger, D, Schulz, G.E. Deposit date: 2007-08-23 Release date: 2008-01-22 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Designed Protein-Protein Association. Science, 319, 2008
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
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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