8TXS
 
 | |
7VUM
 | | Crystal structure of SSB complexed with que | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Single-stranded DNA-binding protein | | Authors: | Lin, E.S, Huang, Y.H, Huang, C.Y. | | Deposit date: | 2021-11-03 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.319 Å) | | Cite: | A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Int J Mol Sci, 23, 2022
|
|
1HLY
 | | SOLUTION STRUCTURE OF HONGOTOXIN 1 | | Descriptor: | HONGOTOXIN 1 | | Authors: | Pragl, B, Koschak, A, Trieb, M, Obermair, G, Kaufmann, W.A, Gerster, U, Blanc, E, Hahn, C, Prinz, H, Schutz, G, Darbon, H, Gruber, H.J, Knaus, H.G. | | Deposit date: | 2000-12-04 | | Release date: | 2003-09-30 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Synthesis, characterization, and application of cy-dye- and alexa-dye-labeled hongotoxin(1) analogues. The
first high affinity fluorescence probes for voltage-gated K+ channels.
BIOCONJUG.CHEM., 13, 2002
|
|
3TPP
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
|
|
3TPJ
 | | APO structure of BACE1 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
|
|
3TPR
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
|
|
8IGF
 | | Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution | | Descriptor: | (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I. | | Deposit date: | 2023-02-20 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
|
|
9GYH
 | | HEW Lysozyme with His 15 functionalized with iodoacetamide | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | da Silva, J.S.P, Delgado, J.M.L, Bruno, F, Calderone, V, Ravera, E. | | Deposit date: | 2024-10-02 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of His15 acetamide-modified hen egg-white lysozyme: a nice surprise from an old friend.
Acta Crystallogr.,Sect.F, 81, 2025
|
|
8DTA
 | |
1GK6
 | | Human vimentin coil 2B fragment linked to GCN4 leucine zipper (Z2B) | | Descriptor: | VIMENTIN | | Authors: | Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P. | | Deposit date: | 2001-08-08 | | Release date: | 2002-03-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
|
|
7M3R
 | |
7M54
 | |
5MJG
 | | Single-shot pink beam serial crystallography: Thaumatin | | Descriptor: | S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1 | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | | Deposit date: | 2016-12-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Single-shot pink beam serial crystallography: Thaumatin
To Be Published
|
|
5YNZ
 | | Crystal structure of the dihydroorotase domain (K1556A) of human CAD | | Descriptor: | CAD protein, ZINC ION | | Authors: | Huang, Y.H, Chen, K.L, Cheng, J.H, Huang, C.Y. | | Deposit date: | 2017-10-26 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.774 Å) | | Cite: | Crystal structures of monometallic dihydropyrimidinase and the human dihydroorotase domain K1556A mutant reveal no lysine carbamylation within the active site
Biochem. Biophys. Res. Commun., 505, 2018
|
|
3A4P
 | | human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor | | Descriptor: | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ... | | Authors: | Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T. | | Deposit date: | 2009-07-13 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
|
|
8UEL
 | | Crystal structure of enolase from Litopenaeus vannamei | | Descriptor: | Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Chang, X, Zhao, G. | | Deposit date: | 2023-10-01 | | Release date: | 2023-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Characterization and Structural Analyses of Enolase from Shrimp ( Litopenaeus vannamei ).
J.Agric.Food Chem., 71, 2023
|
|
9FBD
 | | Crystal structure of 3-hydroxybutyryl-CoA dehydrogenase from Thermus thermophilus HB27 complexed to NAD+ | | Descriptor: | 3-hydroxybutyryl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hurtado-Guerrero, R, Macias-Leon, J, Gines-Alcober, I, Gonzalez-Ramirez, A.M. | | Deposit date: | 2024-05-13 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Loop engineering of enzymes to control their immobilization and ultimately fabricate more efficient heterogeneous biocatalysts.
Protein Sci., 34, 2025
|
|
8D8M
 | |
8I7Q
 | |
6Q2F
 | | Structure of Rhamnosidase from Novosphingobium sp. PP1Y | | Descriptor: | Glycoside hydrolase family protein, SODIUM ION | | Authors: | Terry, B, Ha, J, Izzo, V, Sazinsky, M.H. | | Deposit date: | 2019-08-07 | | Release date: | 2019-11-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.20000076 Å) | | Cite: | The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
|
|
6T5X
 | | Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vella, P, Schnell, R, Schneider, G. | | Deposit date: | 2019-10-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
|
|
6T62
 | |
9GL5
 | | X-ray structure of the Thermus thermophilus Q190E mutant of the PilF-GSPIIB domain in the c-di-GMP bound state | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETIC ACID, ATP-binding motif-containing protein pilF, ... | | Authors: | Neissner, K, Woehnert, J. | | Deposit date: | 2024-08-27 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protonated Glutamate and Aspartate Side Chains Can Recognize Phosphodiester Groups via Strong and Short Hydrogen Bonds in Biomacromolecular Complexes.
Angew.Chem.Int.Ed.Engl., 2025
|
|
6PW8
 | |
9GLG
 | | X-ray structure of the Thermus thermophilus Q218E mutant of the PilF-GSPIIB domain in the c-di-GMP bound state | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, ATP-binding motif-containing protein pilF, ... | | Authors: | Neissner, K, Woehnert, J. | | Deposit date: | 2024-08-27 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Protonated Glutamate and Aspartate Side Chains Can Recognize Phosphodiester Groups via Strong and Short Hydrogen Bonds in Biomacromolecular Complexes.
Angew.Chem.Int.Ed.Engl., 2025
|
|
