PDB: 52399 resultsInfo pagesStatus searchChemie searchBIRD

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6T1Q	3C-like protease from Southampton norovirus. Descriptor: Genome polyprotein Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-05 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.3 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T2I	3C-like protease from Southampton virus complexed with FMOPL000157a. Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, N-(2-phenylethyl)methanesulfonamide Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-08 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.61 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T4E	Native C3-like protease from Southampton virus complexed with FMOPL000287a. Descriptor: Genome polyprotein, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-13 Release date: 2020-08-19 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.66 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T5R	3C-like protease from Southampton virus complexed with FMOPL000091a. Descriptor: 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-16 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.78 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T8R	3C-like protease from Southampton virus complexed with FMOPL000605a. Descriptor: 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-24 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.88 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6TBO	3C-like protease from Southampton virus complexed with FMOPL000363a. Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-11-02 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.07 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6TBP	3C-like protease from Southampton virus complexed with FMOPL000490a. Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide Authors: Guo, J, Cooper, J.B. Deposit date: 2019-11-03 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.56 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
7KXG	Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site and L-histidine bound at the allosteric site Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... Authors: Saran, S, Sanders, D.A.R. Deposit date: 2020-12-03 Release date: 2021-12-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Reversing the roles of a crucial hydrogen-bonding pair: a lysine-insensitive mutant of Campylobacter jejuni dihydrodipicolinate synthase, H59K, binds histidine in its allosteric site To Be Published
6T71	3C-like protease from Southampton virus complexed with XST00000375b. Descriptor: 2-(1-benzofuran-3-yl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-20 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.52 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6TAW	3C-like protease from Southampton virus complexed with FMOPL000411a. Descriptor: Genome polyprotein, PHOSPHATE ION, ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-30 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.41 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T3G	3C-like protease from Southampton virus complexed with FMOPL000324a. Descriptor: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-10 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.63 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T4S	3C-like protease from Southampton virus complexed with FMOPL000013a. Descriptor: 2-(trifluoromethoxy)benzoic acid, Genome polyprotein Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-14 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.02 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T5D	3C-like protease from Southampton virus complexed with FMOPL000014a. Descriptor: 2-phenylmethoxyaniline, Genome polyprotein Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-16 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.42 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6TAL	3C-like protease from Southampton virus complexed with FMOPL000227a. Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-29 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.51 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
7LBD	Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K mutant with pyruvate bound in the active site in C2221 space group Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... Authors: Saran, S, Yazdi, M.M, Sanders, D.A.R. Deposit date: 2021-01-07 Release date: 2022-01-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Reversing the roles of a crucial hydrogen-bonding pair: a lysine-insensitive mutant of Campylobacter jejuni dihydrodipicolinate synthase, H59K, binds histidine in its allosteric site To Be Published
6T49	3C-like protease from Southampton virus complexed with FMOPL000582a. Descriptor: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-13 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.56 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6W92	Human UHRF1 TTD domain Descriptor: E3 ubiquitin-protein ligase UHRF1 Authors: Campbell, J.C, Chang, L, Sankaran, B, Young, D.W. Deposit date: 2020-03-21 Release date: 2021-02-24 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
6T2X	3C-like protease from Southampton virus complexed with FMOPL000004a. Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, Genome polyprotein, PHOSPHATE ION Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-10 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.54 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
7OSL	Cryo-EM structure of nonameric EPEC SctV-C Descriptor: Translocator EscV Authors: Fahrenkamp, D, Wald, J, Yuan, B, Marlovits, T.C. Deposit date: 2021-06-09 Release date: 2021-09-29 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural Dynamics of the Functional Nonameric Type III Translocase Export Gate. J.Mol.Biol., 433, 2021
6VYJ	Human UHRF1 TTD domain in complex with a fragment Descriptor: 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose Authors: Campbell, J.C, Chang, L, Young, D.W. Deposit date: 2020-02-26 Release date: 2021-01-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
7ADX	SFX structure of dehaloperoxidase B in the oxyferrous form Descriptor: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A. Deposit date: 2020-09-16 Release date: 2021-10-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.85 Å) Cite: SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form To Be Published
6TCF	3C-like protease from Southampton virus complexed with XST00000642b. Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-11-05 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.79 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6T8T	3C-like protease from Southampton virus complexed with FMOPL000603a. Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-10-24 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.68 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
7T8F	G93A mutant of human SOD1 bound with Ebselen in P21 space group Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2021-12-16 Release date: 2023-01-25 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement. Sci Rep, 14, 2024
7T8E	G93A mutant of human SOD1 in P21 space group Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2021-12-16 Release date: 2023-01-25 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement. Sci Rep, 14, 2024

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