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7RZ3	The solution structure of remipede double-ICK toxin phi-Xibalbin3-Xt3a Descriptor: Xt3a Authors: Maxwell, M, Chin, Y.K, Mobli, M. Deposit date: 2021-08-27 Release date: 2022-08-31 Last modified: 2023-03-08 Method: SOLUTION NMR Cite: A bivalent remipede toxin promotes calcium release via ryanodine receptor activation. Nat Commun, 14, 2023
7KDQ	StigA15 Descriptor: Stigmurin analog StigA15 Authors: Rodrigues, S.C.S, Araujo, R.M, Resende, J.M, Pedrosa, M.F.F. Deposit date: 2020-10-09 Release date: 2021-10-13 Method: SOLUTION NMR Cite: StigA15 To Be Published
7PKU	Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a Descriptor: 3C-like proteinase, Nucleoprotein Authors: Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. Deposit date: 2021-08-26 Release date: 2022-01-19 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a. Sci Adv, 8, 2022
7QCC	Williams-Beuren syndrome related methyltransferase WBSCR27 in apo-form Descriptor: Methyltransferase-like 27 Authors: Polshakov, V.I, Mariasina, S.S, Chang, C.-F. Deposit date: 2021-11-23 Release date: 2021-12-29 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Williams-Beuren Syndrome Related Methyltransferase WBSCR27: From Structure to Possible Function. Front Mol Biosci, 9, 2022
4BWH	Solution structure of the chimeric hydrophobin NChi2 Descriptor: NCHI2, HYDROPHOBIN Authors: Ren, Q, Sunde, M, Kwan, A.H. Deposit date: 2013-07-03 Release date: 2014-08-06 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Solution Structure of the Chimeric Hydrophobin Nchi2 To be Published
8OH7	Structure of A4M4C bound to (KR)4 Solution backbone structure refined by PCS Descriptor: Designed Armadillo repeat protein with four internal modules Authors: Cucuzza, S, Zerbe, O. Deposit date: 2023-03-20 Release date: 2023-12-13 Method: SOLUTION NMR Cite: Unexpected dynamics in femtomolar complexes of binding proteins with peptides. Nat Commun, 14, 2023
7U8H	Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit Descriptor: 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2022-03-08 Release date: 2022-11-09 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.702 Å) Cite: Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
8OFC	Structure of an i-motif domain with the cytosine analog 1,3-diaza-2-oxophenoxacione (tC) at neutral pH Descriptor: DNA (5'-D(*CP*(YCO)P*GP*TP*TP*CP*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*CP*(DNR)P*GP*T)-3') Authors: Mir, B, Serrano-Chacon, I, Terrazas, M, Gandioso, A, Garavis, M, Orozco, M, Escaja, N, Gonzalez, C. Deposit date: 2023-03-15 Release date: 2024-02-07 Last modified: 2024-04-24 Method: SOLUTION NMR Cite: Site-specific incorporation of a fluorescent nucleobase analog enhances i-motif stability and allows monitoring of i-motif folding inside cells. Nucleic Acids Res., 52, 2024
8MSI	TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14SQ44T Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III) Authors: Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. Deposit date: 1999-01-24 Release date: 1999-04-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
6OKX	Solution structure of VEK50RH1/AA Descriptor: Plasminogen-binding group A streptococcal M-like protein PAM Authors: Yuan, Y, Castellino, F.J. Deposit date: 2019-04-15 Release date: 2020-02-26 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes. J.Struct.Biol., 208, 2019
6OQJ	SOLUTION STRUCTURE OF THE COMPLEX OF MUTANT VEK50[RH1/AA] AND PLASMINOGEN KRINGLE 2 Descriptor: Plasminogen kringle 2, Plasminogen-binding group A streptococcal M-like protein PAM Authors: Yuan, Y, Castellino, F.J. Deposit date: 2019-04-26 Release date: 2019-07-24 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes. J.Struct.Biol., 208, 2019
6OQ9	Solution structure of VEK50 in the bound form with plasminogen kringle 2 Descriptor: Plasminogen-binding group A streptococcal M-like protein PAM Authors: Yuan, Y, Castellino, F.J. Deposit date: 2019-04-25 Release date: 2019-07-24 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes. J.Struct.Biol., 208, 2019
6OQK	SOLUTION STRUCTURE OF THE COMPLEX OF MUTANT VEK50[RH2/AA] AND PLASMINOGEN KRINGLE 2 Descriptor: Plasminogen Kringle 2, Plasminogen-binding group A streptococcal M-like protein PAM Authors: Yuan, Y, Castellino, F.J. Deposit date: 2019-04-26 Release date: 2019-07-24 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes. J.Struct.Biol., 208, 2019
6OKY	Solution structure of truncated peptide from PAMap53 Descriptor: Plasminogen-binding group A streptococcal M-like protein PAM Authors: Yuan, Y, Castellino, F.J. Deposit date: 2019-04-15 Release date: 2020-02-26 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes. J.Struct.Biol., 208, 2019
5KIZ	Solution Structure of a repacked version of HIF-2 alpha PAS-B Descriptor: Endothelial PAS domain-containing protein 1 Authors: Correa, F, Key, J, Kuhlman, B, Gardner, K.H. Deposit date: 2016-06-17 Release date: 2016-08-17 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Computational Repacking of HIF-2 alpha Cavity Replaces Water-Based Stabilized Core. Structure, 24, 2016
6IA0	Human telomeric G-quadruplex with 8-oxo-G substitution in the central G-quartet Descriptor: hTel-oxoG10 Authors: Bielskute, S, Plavec, J, Podbevsek, P. Deposit date: 2018-11-26 Release date: 2019-01-30 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Impact of Oxidative Lesions on the Human Telomeric G-Quadruplex. J. Am. Chem. Soc., 141, 2019
8PMB	Minimal I-motif comprising three cytosine-cytosine+ base-pairs Descriptor: minimal I-motif C21T333 Authors: Ghezzo, M, Trajkovski, M, Plavec, J, Sissi, C. Deposit date: 2023-06-28 Release date: 2023-09-13 Last modified: 2023-10-18 Method: SOLUTION NMR Cite: A Screening Protocol for Exploring Loop Length Requirements for the Formation of a Three Cytosine-Cytosine + Base-Paired i-Motif. Angew.Chem.Int.Ed.Engl., 62, 2023
6IA4	Human telomeric G-quadruplex with 8-oxo-G substitution in the outer G-quartet Descriptor: hTel-oxoG21 Authors: Bielskute, S, Plavec, J, Podbevsek, P. Deposit date: 2018-11-26 Release date: 2019-01-30 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Impact of Oxidative Lesions on the Human Telomeric G-Quadruplex. J. Am. Chem. Soc., 141, 2019
6OKW	Solution structure of VEK50 Descriptor: Plasminogen-binding group A streptococcal M-like protein PAM Authors: Yuan, Y, Castellino, F.J. Deposit date: 2019-04-15 Release date: 2020-02-26 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes. J.Struct.Biol., 208, 2019
5V1E	Suboptimization of a glycine rich peptide allows the combinatorial space exploration for designing novel antimicrobial peptides Descriptor: Guavanin 2 Authors: Alves, E.S.F, Matos, C.O. Deposit date: 2017-03-02 Release date: 2018-03-07 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: In silico optimization of a guava antimicrobial peptide enables combinatorial exploration for peptide design. Nat Commun, 9, 2018
2Y5M	STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 7.7 MONOACYLGLYCEROL LIPID CUBIC PHASE. Descriptor: POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A Authors: Hoefer, N, Aragao, D, Caffrey, M. Deposit date: 2011-01-14 Release date: 2011-05-11 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide Cryst.Growth Des., 11, 2011
5MTA	G-quadruplex formed within promoters of Plasmodium falciparum B var genes Descriptor: UpsB-Q-1, DNA (34-MER) Authors: Juribasic Kulcsar, M, Plavec, J. Deposit date: 2017-01-09 Release date: 2018-02-28 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Stabilizing interactions in long-loop G-quadruplex formed within promoters of Plasmodium falciparum B var genes To Be Published
7A3Y	RNA duplex with a cytosine bulge in complex with berberine Descriptor: BERBERINE, RNA-A chain A, RNA-A chain B Authors: Podbevsek, P, Plavec, J. Deposit date: 2020-08-19 Release date: 2021-03-10 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Interaction between berberine and RNA for the exploration of phytochemicals role Nucleic Acids Res., 2021
5MTG	G-quadruplex formed within promoters of Plasmodium falciparum B var genes - form I Descriptor: UpsB-Q-1 DNA (34-MER) Authors: Juribasic Kulcsar, M, Plavec, J. Deposit date: 2017-01-09 Release date: 2018-02-28 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Stabilizing interactions in long-loop G-quadruplex formed within promoters of Plasmodium falciparum B var genes To Be Published
5M1W	Structure of a stable G-hairpin Descriptor: DNA (5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3') Authors: Gajarsky, M, Zivkovic, M.L, Stadlbauer, P, Pagano, B, Fiala, R, Amato, J, Tomaska, L, Sponer, J, Plavec, J, Trantirek, L. Deposit date: 2016-10-11 Release date: 2017-03-01 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structure of a Stable G-Hairpin. J. Am. Chem. Soc., 139, 2017

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