7X4J
 
 | | The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid | | 分子名称: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | 著者 | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid
To Be Published
|
|
8B3R
 | |
4BM8
 | | Galectin-3c in complex with Bisamido-thiogalactoside derivate 3 | | 分子名称: | (3-Deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3 | | 著者 | Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | | 登録日 | 2013-05-07 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies
To be Published
|
|
7FZ9
 | | Crystal Structure of human FABP4 in complex with N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine | | 分子名称: | (3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
|
|
6RHU
 | | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions at sub-atomic resolution. Second structure of the series with 165 KGy dose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | 登録日 | 2019-04-22 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
6ZX4
 | | Neisseria gonorrhoeae transaldolase | | 分子名称: | CITRIC ACID, GLYCEROL, Transaldolase | | 著者 | Sautner, V, Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | | 登録日 | 2020-07-29 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
|
|
7Z8O
 | | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | | 分子名称: | 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ... | | 著者 | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | | 登録日 | 2022-03-18 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
|
|
7P5R
 | | Racemic protein crystal structure of lacticin Q from Lactococcus lactis | | 分子名称: | D-Lacticin Q, FORMIC ACID, Lacticin Q | | 著者 | Lander, A.J, Li, X, Baumann, P, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | 登録日 | 2021-07-14 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
|
|
6RHX
 | | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions at sub-atomic resolution. Third structure of the series with 315 KGy dose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | 登録日 | 2019-04-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
5OUJ
 | | Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 | | 分子名称: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | | 登録日 | 2017-08-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
|
|
4PRT
 | |
5MOS
 | | Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-14 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
|
|
7A33
 | |
5F82
 | | Apo GES-5 C69G mutant | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2015-12-08 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
|
|
5MNO
 | | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
|
|
7Q0O
 | | E. coli NfsA | | 分子名称: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase | | 著者 | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | 登録日 | 2021-10-15 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
|
|
4YXI
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | | 分子名称: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-23 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
|
|
1AHO
 | | THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN | | 分子名称: | TOXIN II | | 著者 | Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R. | | 登録日 | 1997-04-08 | | 公開日 | 1997-10-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Ab initio structure determination and refinement of a scorpion protein toxin.
Acta Crystallogr.,Sect.D, 53, 1997
|
|
5S74
 | | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain | | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 3 | | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | 登録日 | 2020-11-23 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
To Be Published
|
|
2Z6W
 | | Crystal structure of human cyclophilin D in complex with cyclosporin A | | 分子名称: | CITRIC ACID, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | | 著者 | Kajitani, K, Fujihashi, M, Kobayashi, Y, Shimizu, S, Tsujimoto, Y, Miki, K. | | 登録日 | 2007-08-09 | | 公開日 | 2008-04-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Crystal Structure of Human Cyclophilin D in Complex with its Inhibitor, Cyclosporin a at 0.96-A Resolution.
Proteins, 70, 2008
|
|
3U89
 | | Crystal structure of one turn of g/c rich b-dna revisited | | 分子名称: | 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION | | 著者 | Maehigashi, T, Woods, K.K, Moulaei, T, Komeda, S, Williams, L.D. | | 登録日 | 2011-10-16 | | 公開日 | 2011-11-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | B-DNA structure is intrinsically polymorphic: even at the level of base pair positions.
Nucleic Acids Res., 40, 2012
|
|
2XOD
 | | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | | 分子名称: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | | 著者 | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | | 登録日 | 2010-08-14 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin
FEBS J., 277, 2010
|
|
3ZZP
 | | Circular permutant of ribosomal protein S6, lacking edge strand beta- 2 of wild-type S6. | | 分子名称: | RIBOSOMAL PROTEIN S6 | | 著者 | Saraboji, K, Haglund, E, Lindberg, M.O, Oliveberg, M, Logan, D.T. | | 登録日 | 2011-09-02 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Trimming Down a Protein Structure to its Bare Foldons: Spatial Organization of the Cooperative Unit.
J.Biol.Chem., 287, 2012
|
|
5ZJ8
 | |
6F1O
 | |
