PDB: 54296 resultsInfo pagesStatus searchChemie searchBIRD

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8EX0	Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2 Authors: Sampathkumar, P, Hubbard, S.R. Deposit date: 2022-10-24 Release date: 2023-02-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
8EX2	Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3 Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2 Authors: Sampathkumar, P, Hubbard, S.R. Deposit date: 2022-10-24 Release date: 2023-02-01 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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: 2024-10-09 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
7T8G	G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group Descriptor: ACETATE ION, SELENIUM ATOM, SULFATE ION, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2021-12-16 Release date: 2023-01-25 Last modified: 2024-09-25 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement. Sci Rep, 14, 2024
7T8H	G93A mutant of human SOD1 bound with MR6-26-2 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: 2024-11-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement. Sci Rep, 14, 2024
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
2QVT	Structure of Melampsora lini avirulence protein, AvrL567-D Descriptor: AvrL567-D Authors: Guncar, G, Wang, C.I, Forwood, J.K, Teh, T, Catanzariti, A.M, Lawrence, G, Schirra, H.J, Anderson, P.A, Ellis, J.G, Dodds, P.N, Kobe, B. Deposit date: 2007-08-08 Release date: 2007-10-30 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Crystal structures of flax rust avirulence proteins AvrL567-A and -D reveal details of the structural basis for flax disease resistance specificity. Plant Cell, 19, 2007
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
6TGL	3c-like protease from Southampton virus complexed with FMOPL000644a. Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ... Authors: Guo, J, Cooper, J.B. Deposit date: 2019-11-16 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.99 Å) Cite: In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
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
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
5M0W	N-terminal domain of mouse Shisa 3 Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Lohkamp, B, Ojala, J.R.M. Deposit date: 2016-10-06 Release date: 2017-04-05 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Ab initio solution of macromolecular crystal structures without direct methods. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
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
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

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