8S98
 
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
|
|
6XT6
 | | pro-concanavalin A: Precursor of circularly permuted concanavalin A | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Concanavalin-A, ... | | Authors: | Nonis, S.G, Haywood, J, Schmidberger, J.W, Bond, C.S. | | Deposit date: | 2020-07-17 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Structural and biochemical analyses of concanavalin A circular permutation by jack bean asparaginyl endopeptidase.
Plant Cell, 33, 2021
|
|
6TQG
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | | Deposit date: | 2019-12-16 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
|
|
5J09
 | |
6XT5
 | |
8ECH
 | |
8G4J
 | |
6VFN
 | | Crystal structure of SpeG allosteric polyamine acetyltransferase from Bacillus thuringiensis in complex with spermine | | Descriptor: | SPERMINE, Spermidine N1-acetyltransferase | | Authors: | Tsimbalyuk, S, Shornikov, A, Le, V.T.B, Kuhn, M.L, Forwood, J.K. | | Deposit date: | 2020-01-05 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | SpeG polyamine acetyltransferase enzyme from Bacillus thuringiensis forms a dodecameric structure and exhibits high catalytic efficiency.
J.Struct.Biol., 210, 2020
|
|
8VPU
 | |
1AK9
 | | SUBTILISIN MUTANT 8321 | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ... | | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | | Deposit date: | 1997-05-30 | | Release date: | 1997-11-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
|
|
5J37
 | | Crystal structure of 60-mer BFDV Capsid Protein in complex with single stranded DNA | | Descriptor: | Beak and feather disease virus capsid protein, PHOSPHATE ION, single stranded DNA | | Authors: | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
|
|
8EVZ
 | | DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ... | | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | | Deposit date: | 2022-10-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
|
|
8EVW
 | | DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase A, ... | | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | | Deposit date: | 2022-10-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
|
|
8EVY
 | | DdlB from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase B, ... | | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | | Deposit date: | 2022-10-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
|
|
8EVV
 | |
8EVX
 | | DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase A, MAGNESIUM ION, ... | | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | | Deposit date: | 2022-10-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
|
|
5J36
 | | Crystal structure of 60-mer BFDV Capsid Protein | | Descriptor: | Beak and feather disease virus capsid protein, PHOSPHATE ION | | Authors: | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
|
|
6WX8
 | | SOX2 bound to Importin-alpha 3 | | Descriptor: | Importin subunit alpha-3, SULFATE ION, Transcription factor SOX-2 | | Authors: | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | Deposit date: | 2020-05-10 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
|
|
6WX9
 | | SOX2 bound to Importin-alpha 5 | | Descriptor: | Importin subunit alpha-5, Transcription factor SOX-2 | | Authors: | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | Deposit date: | 2020-05-10 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
|
|
8FK3
 | |
7QUJ
 | | Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2 | | Authors: | Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E. | | Deposit date: | 2022-01-18 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
|
|
4R8E
 | | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Yersinia pestis | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | | Authors: | Himiari, Z, Nanson, J.D, Swarbrick, C.M.D, Forwood, J.K. | | Deposit date: | 2014-09-02 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Characterisation of the Beta-Ketoacyl-Acyl Carrier Protein Synthases, FabF and FabH, of Yersinia pestis.
Sci Rep, 5, 2015
|
|
8SG7
 | |
4RYB
 | |
7JJM
 | | Crystal structure of Importin alpha 2 in complex with LSD1 NLS | | Descriptor: | CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | | Authors: | Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | | Deposit date: | 2020-07-27 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
|
|
