6F27
 
 | | NMR solution structure of non-bound [des-Arg10]-kallidin (DAKD) | | Descriptor: | DAKD | | Authors: | Richter, C, Jonker, H.R.A, Schwalbe, H, Joedicke, L, Mao, J, Kuenze, G, Reinhart, C, Kalavacherla, T, Meiler, J, Preu, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-23 | | Release date: | 2018-01-10 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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7CLV
 | | Solution structure of mitochondrial Tim23 channel in complex with a signaling peptide | | Descriptor: | COX4 isoform 1, TIM23 isoform 1 | | Authors: | Zhou, S, Ruan, M.S, Li, Y.Y, Yang, J, Richter, C, Schwalbe, H, Shen, B, Wang, J.F. | | Deposit date: | 2020-07-22 | | Release date: | 2020-12-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide.
Cell Res., 31, 2021
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8CLR
 | | Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop | | Descriptor: | RNA hairpin with CUUG tetraloop | | Authors: | Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H. | | Deposit date: | 2023-02-17 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-09 | | Method: | SOLUTION NMR | | Cite: | Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop.
J.Am.Chem.Soc., 145, 2023
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7O2L
 | | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
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5GQS
 | | NMR based solution structure of PTS system, galactitol-specific IIB component from methicillin resistant Staphylococcus aureus | | Descriptor: | PTS galactitol transporter subunit IIB | | Authors: | Wahab, A, Schwalbe, H, Shahid, M.F, Richter, C, Jonker, H.R.A. | | Deposit date: | 2016-08-08 | | Release date: | 2016-09-14 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR based solution structure of PTS system, galactitol-specific IIB component from methicillin resistant Staphylococcus aureus
To Be Published
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2N9Q
 | | Photoswitchable G-quadruplex | | Descriptor: | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION | | Authors: | Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A. | | Deposit date: | 2015-12-02 | | Release date: | 2016-02-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif.
Angew.Chem.Int.Ed.Engl., 55, 2016
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6Q2Z
 | | NMR solution structure of the HVO_2922 protein from Haloferax volcanii | | Descriptor: | UPF0339 family protein | | Authors: | Kubatova, N, Jonker, H.R.A, Saxena, K, Richter, C, Marchfelder, A, Schwalbe, H. | | Deposit date: | 2018-12-03 | | Release date: | 2019-06-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of the Small Protein HVO_2922 from Haloferax volcanii.
Chembiochem, 21, 2020
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6F2X
 | | Structural characterization of the Mycobacterium tuberculosis Protein Tyrosine Kinase A (PtkA) | | Descriptor: | Protein Tyrosine Kinase A | | Authors: | Niesteruk, A, Jonker, H.R.A, Sreeramulu, S, Richter, C, Hutchison, M, Linhard, V, Schwalbe, H. | | Deposit date: | 2017-11-27 | | Release date: | 2018-07-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The domain architecture of PtkA, the first tyrosine kinase fromMycobacterium tuberculosis, differs from the conventional kinase architecture.
J. Biol. Chem., 293, 2018
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2K5B
 | | Human CDC37-HSP90 docking model based on NMR | | Descriptor: | Heat shock protein HSP 90-alpha, Hsp90 co-chaperone Cdc37 | | Authors: | Sreeramulu, S, Jonker, H.R.A, Lancaster, C.R, Richter, C, Langer, T, Schwalbe, H. | | Deposit date: | 2008-06-26 | | Release date: | 2008-12-09 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | The human Cdc37.Hsp90 complex studied by heteronuclear NMR spectroscopy
J.Biol.Chem., 284, 2009
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5N5C
 | | NMR solution structure of the TSL2 RNA hairpin | | Descriptor: | RNA (19-MER) | | Authors: | Garcia-Lopez, A, Wacker, A, Tessaro, F, Jonker, H.R.A, Richter, C, Comte, A, Berntenis, N, Schmucki, R, Hatje, K, Sciarra, D, Konieczny, P, Fournet, G, Faustino, I, Orozco, M, Artero, R, Goekjian, P, Metzger, F, Ebeling, M, Joseph, B, Schwalbe, H, Scapozza, L. | | Deposit date: | 2017-02-13 | | Release date: | 2018-03-14 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes.
Nat Commun, 9, 2018
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2KOC
 | | NMR solution structure of a 14-mer hairpin RNA with cUUCGg tetraloop | | Descriptor: | RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3') | | Authors: | Nozinovic, S, Fuertig, B, Jonker, H.R.A, Richter, C, Schwalbe, H. | | Deposit date: | 2009-09-17 | | Release date: | 2009-12-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | High-resolution NMR structure of an RNA model system: the 14-mer cUUCGg tetraloop hairpin RNA
Nucleic Acids Res., 2009
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2LHP
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2LUB
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2LUO
 | | NMR solution structure of apo-MptpA | | Descriptor: | LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-PHOSPHATASE A | | Authors: | Stehle, T, Sreeramulu, S, Loehr, F, Richter, C, Saxena, K, Jonker, H.R.A, Schwalbe, H. | | Deposit date: | 2012-06-19 | | Release date: | 2012-08-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development.
J.Biol.Chem., 287, 2012
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8PJ0
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-06-22 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection
Rsc Med Chem, 2024
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8PH4
 | | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | | Authors: | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2023-06-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
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8R1V
 | | Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Yadrykhinsky, V, Brenk, R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection
Rsc Med Chem, 2024
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8R0I
 | | Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | Authors: | Yadrykhinsky, V, Brenk, R. | | Deposit date: | 2023-10-31 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection
Rsc Med Chem, 2024
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7P27
 | | NMR solution structure of Chikungunya virus macro domain | | Descriptor: | Polyprotein P1234 | | Authors: | Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A. | | Deposit date: | 2021-07-04 | | Release date: | 2022-07-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
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7QG7
 | | SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | | Authors: | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
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4AK9
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6F3V
 | | Backbone structure of bradykinin (BK) peptide bound to human Bradykinin 2 Receptor (B2R) determined by MAS SSNMR | | Descriptor: | Bradykinin (BK) | | Authors: | Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2023-06-14 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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6F3W
 | | Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2023-06-14 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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6F3Y
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2023-06-14 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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6F3X
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide in frozen DDM/CHS detergent micelle solution determined by DNP-enhanced MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2023-06-14 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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