9DH3
 
 | | Cryo-EM structure of NLRP3 complex with Compound C | | Descriptor: | 2-[(4S)-5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N-(pyrimidin-4-yl)acetamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Matico, R, Grauwen, K, Van Gool, M, Muratore, E.M, Yu, X, Abdiaj, I, Adhikary, S, Adriaensen, I, Aranzazu, G.M, Alcazar, J, Bassi, M, Brisse, E, Canellas, S, Chaudhuri, S, Chauhan, D, Delgado, F, Dieguez-Vazquez, A, Du Jardin, M, Eastham, V, Finley, M, Jacobs, T, Keustermans, K, Kuhn, R, Llaveria, J, Leenaerts, J, Linares, M.L, Martin, M.L, Martinez, C, Miller, R, Munoz, F.M, Nooyens, A, Perez, L.B, Perrier, M, Pietrak, B, Serre, J, Sharma, S, Somers, M, Suarez, J, Tresadern, G, Trabanco, A.A, Van den Bulck, D, Van Hauwermeiren, F, Varghese, T, Vega, J.A, Youssef, S.A, Edwards, M.J, Oehlrich, D, Van Opdenbosch, N. | | Deposit date: | 2024-09-03 | | Release date: | 2024-12-25 | | Last modified: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Navigating from cellular phenotypic screen to clinical candidate: selective targeting of the NLRP3 inflammasome.
Embo Mol Med, 17, 2025
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1EGX
 | | SOLUTION STRUCTURE OF THE ENA-VASP HOMOLOGY 1 (EVH1) DOMAIN OF HUMAN VASODILATOR-STIMULATED PHOSPHOPROTEIN (VASP) | | Descriptor: | VASODILATOR-STIMULATED PHOSPHOPROTEIN | | Authors: | Ball, L, Kuhne, R, Hoffmann, B, Hafner, A, Schmieder, P, Volkmer-Engert, R, Hof, M, Wahl, M, Schneider-Mergener, J, Walter, U, Oschkinat, H, Jarchau, T. | | Deposit date: | 2000-02-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Dual epitope recognition by the VASP EVH1 domain modulates polyproline ligand specificity and binding affinity.
EMBO J., 19, 2000
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1IEZ
 | | Solution Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase of Riboflavin Biosynthesis | | Descriptor: | 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase | | Authors: | Kelly, M.J.S, Ball, L.J, Kuhne, R, Bacher, A, Oschkinat, H. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1JMQ
 | | YAP65 (L30K mutant) WW domain in Complex with GTPPPPYTVG peptide | | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, WW Domain Binding Protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-07-19 | | Release date: | 2001-12-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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1K9Q
 | | YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2 | | Descriptor: | 65 kDa Yes-associated protein, N-OCTANE, WW domain binding protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-10-30 | | Release date: | 2001-12-28 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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1K9R
 | | YAP65 WW domain complexed to Acetyl-PLPPY | | Descriptor: | 65 kDa Yes-associated protein, WW domain binding protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-10-30 | | Release date: | 2001-12-28 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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1L2Z
 | | CD2BP2-GYF domain in complex with proline-rich CD2 tail segment peptide | | Descriptor: | CD2 ANTIGEN (CYTOPLASMIC TAIL)-BINDING PROTEIN 2, T-CELL SURFACE ANTIGEN CD2 | | Authors: | Freund, C, Kuhne, R, Yang, H, Park, S, Reinherz, E.L, Wagner, G. | | Deposit date: | 2002-02-26 | | Release date: | 2002-11-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Dynamic interaction of CD2 with the GYF and the SH3 domain of compartmentalized effector molecules
Embo J., 21, 2002
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1Q8G
 | | NMR structure of human Cofilin | | Descriptor: | Cofilin, non-muscle isoform | | Authors: | Pope, B.J, Zierler-Gould, K.M, Kuhne, R, Weeds, A.G, Ball, L.J. | | Deposit date: | 2003-08-21 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human cofilin: rationalizing actin binding and pH sensitivity
J.Biol.Chem., 279, 2004
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1OQA
 | | Solution structure of the BRCT-c domain from human BRCA1 | | Descriptor: | Breast cancer type 1 susceptibility protein | | Authors: | Gaiser, O.J, Ball, L.J, Schmieder, P, Leitner, D, Strauss, H, Wahl, M, Kuhne, R, Oschkinat, H, Heinemann, U. | | Deposit date: | 2003-03-07 | | Release date: | 2004-06-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure, backbone dynamics, and association behavior of the C-terminal BRCT domain from the breast cancer-associated protein BRCA1.
Biochemistry, 43, 2004
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1R2N
 | | NMR structure of the all-trans retinal in dark-adapted Bacteriorhodopsin | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Patzelt, H, Simon, B, terLaak, A, Kessler, B, Kuhne, R, Schmieder, P, Oesterhaelt, D, Oschkinat, H. | | Deposit date: | 2003-09-29 | | Release date: | 2003-10-28 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002
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1R4T
 | | Solution structure of exoenzyme S | | Descriptor: | exoenzyme S | | Authors: | Langdon, G.M, Leitner, D, Labudde, D, Kuhne, R, Schmieder, P, Aktories, K, Oschkinat, H.O, Schmidt, G. | | Deposit date: | 2003-10-08 | | Release date: | 2005-04-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal GTPase activating domain of Pseudomonas aeruginosa exoenzyme S
To be Published
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1R84
 | | NMR structure of the 13-cis-15-syn retinal in dark_adapted bacteriorhodopsin | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Patzelt, H, Simon, B, Ter Laak, A, Kessler, B, Kuhne, R, Schmieder, P, Oesterhaelt, D, Oschkinat, H. | | Deposit date: | 2003-10-23 | | Release date: | 2003-11-11 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002
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1Q8X
 | | NMR structure of human cofilin | | Descriptor: | Cofilin, non-muscle isoform | | Authors: | Pope, B.J, Zierler-Gould, K.M, Kuhne, R, Weeds, A.G, Ball, L.J. | | Deposit date: | 2003-08-22 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human cofilin: rationalizing actin binding and pH sensitivity
J.Biol.Chem., 279, 2004
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1S3A
 | | NMR Solution Structure of Subunit B8 from Human NADH-Ubiquinone Oxidoreductase Complex I (CI-B8) | | Descriptor: | NADH-ubiquinone oxidoreductase B8 subunit | | Authors: | Brockmann, C, Diehl, A, Rehbein, K, Kuhne, R, Oschkinat, H. | | Deposit date: | 2004-01-13 | | Release date: | 2005-01-25 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | The oxidized subunit B8 from human complex I adopts a thioredoxin fold.
Structure, 12, 2004
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5IRE
 | | The cryo-EM structure of Zika Virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | | Authors: | Sirohi, D, Chen, Z, Sun, L, Klose, T, Pierson, T, Rossmann, M, Kuhn, R. | | Deposit date: | 2016-03-13 | | Release date: | 2016-03-30 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The 3.8 angstrom resolution cryo-EM structure of Zika virus.
Science, 352, 2016
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7LCG
 | | The mature Usutu SAAR-1776, Model A | | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | | Deposit date: | 2021-01-11 | | Release date: | 2021-09-01 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LCH
 | | The mature Usutu SAAR-1776, Model B | | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | | Deposit date: | 2021-01-11 | | Release date: | 2021-09-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5IHL
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5DMJ
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5DMI
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7AKI
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2 | | Descriptor: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide, NITRATE ION, Protein enabled homolog | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2020-10-01 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7A5M
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe | | Descriptor: | Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2020-08-21 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.78 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5NBF
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-3]-OH | | Descriptor: | (3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid, NITRATE ION, Protein enabled homolog, ... | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2017-03-01 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5NAJ
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-1]-[ProM-1]-OH | | Descriptor: | (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S},13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R},13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, CHLORIDE ION, ... | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2017-02-28 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5N91
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPP-OH | | Descriptor: | Ac-[2-Cl-F]-PPPP-OH, NITRATE ION, Protein enabled homolog | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2017-02-24 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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