5GVO
 
 | | Solution NMR structure of a new lasso peptide sphaericin | | Descriptor: | Uncharacterized protein | | Authors: | Hemmi, H, Kodani, S, Inoue, Y, Suzuki, M, Dohra, H, Suzuki, T, Ohnishi-Kameyama, M. | | Deposit date: | 2016-09-06 | | Release date: | 2017-04-05 | | Method: | SOLUTION NMR | | Cite: | Sphaericin, a Lasso Peptide from the Rare Actinomycete Planomonospora sphaerica
Eur.J.Org.Chem., 2017
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6FG0
 | | Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
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5N77
 | | Crystal structure of the cytosolic domain of the CorA magnesium channel from Escherichia coli in complex with magnesium | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, MAGNESIUM ION, Magnesium transport protein CorA | | Authors: | Lerche, M, Sandhu, H, Flockner, L, Hogbom, M, Rapp, M. | | Deposit date: | 2017-02-20 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and Cooperativity of the Cytosolic Domain of the CorA Mg(2+) Channel from Escherichia coli.
Structure, 25, 2017
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5CLY
 | | X-ray structure of TTR mutant - S52P at 1.23A resolution | | Descriptor: | GLYCEROL, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | X-ray structure of TTR mutant - S52P at 1.23A resolution
To Be Published
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6F66
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4-Dihydroxybenzophenone | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2017-12-05 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
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5GXG
 | | High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M. | | Deposit date: | 2016-09-17 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of productive and futile encounters in an electron transfer protein complex
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6ROA
 | | Crystal structure of V57G mutant of human cystatin C | | Descriptor: | Cystatin-C | | Authors: | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | | Deposit date: | 2019-05-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
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2Q9M
 | | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | | Deposit date: | 2007-06-13 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
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5CLZ
 | | X-ray structure of TTR mutant - T119M at 1.22A resolution | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-ray structure of TTR mutant - T119M at 1.22A resolution
To Be Published
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5CN3
 | | X-ray structure of wild-type TTR at 1.30A resolution | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7QCX
 | | Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 13 | | Authors: | Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
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6RR3
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6ZRE
 | | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | | Descriptor: | Outer membrane protein OprM, PALMITIC ACID, SULFATE ION, ... | | Authors: | Ntsogo Enguene, Y.V, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | | Deposit date: | 2020-07-13 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Deciphering the role of OprM constrictions in the opening mechanism of the MexAB-OprM efflux pump from Pseudomonas aeruginosa.
To Be Published
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7QCY
 | | Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 13 | | Authors: | Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
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8K1R
 | | YeeE(TsuA)-YeeD(TsuB) complex for thiosulfate uptake | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Spirochaeta thermophila YeeE(TsuA)-YeeD(TsuB),UPF0033 domain-containing protein, SirA-like domain-containing protein (chimera) | | Authors: | Ikei, M, Miyazaki, R, Monden, K, Naito, Y, Takeuchi, A, Takahashi, Y.S, Tanaka, Y, Ichikawa, M, Tsukazaki, T. | | Deposit date: | 2023-07-11 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | YeeD is an essential partner for YeeE-mediated thiosulfate uptake in bacteria and regulates thiosulfate ion decomposition.
Plos Biol., 22, 2024
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7GPQ
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0008 | | Descriptor: | Protease 3C, methyl 1-(methanesulfonyl)-2-methyl-D-prolinate | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GPT
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0026 | | Descriptor: | DIMETHYL SULFOXIDE, Protease 3C, [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6ZVR
 | | C11 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | Vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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7GPW
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00023824 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6ZW4
 | | C14 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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7GOT
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z26781952 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(1H-benzimidazol-2-yl)methyl]butanamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GOZ
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z381474098 | | Descriptor: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6ZW5
 | | C15 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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7GP5
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z50145861 | | Descriptor: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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5CD9
 | | Crystal structure of the CTD of Drosophila Oskar protein | | Descriptor: | Maternal effect protein oskar, SULFATE ION | | Authors: | Yang, N, Hu, M, Yu, Z, Wang, M, Lehmann, R, Xu, R.M. | | Deposit date: | 2015-07-03 | | Release date: | 2015-09-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structure of Drosophila Oskar reveals a novel RNA binding protein
Proc.Natl.Acad.Sci.USA, 112, 2015
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