5LYR
 
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin | | 分子名称: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ... | | 著者 | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2016-09-28 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
|
|
7KCE
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2 | | 分子名称: | 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, S-ADENOSYLMETHIONINE, ... | | 著者 | Padyana, A, Jin, L. | | 登録日 | 2020-10-05 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
|
|
6V0U
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to bromosporine | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | | 著者 | Chan, A, Karim, M.R, Schonbrunn, E. | | 登録日 | 2019-11-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
|
|
6EN9
 | | E. coli Hydrogenase-2 (hydrogen reduced form) | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | | 著者 | Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A. | | 登録日 | 2017-10-04 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping.
Biochem. J., 475, 2018
|
|
6V0Z
 | | Structure of ALDH7A1 mutant R441C complexed with NAD | | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Korasick, D.A, Tanner, J.J. | | 登録日 | 2019-11-19 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Biochemical, structural, and computational analyses of two new clinically identified missense mutations of ALDH7A1.
Chem.Biol.Interact., 2024
|
|
6ENK
 | | The X-ray crystal structure of DesE bound to desferrioxamine B | | 分子名称: | DesE, SODIUM ION, desferrioxamine B | | 著者 | Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A. | | 登録日 | 2017-10-05 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
|
|
5VVM
 | |
6ECV
 | |
5C7A
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | | 分子名称: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-09-09 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
|
|
8QJR
 | | BRG1 bromodomain in complex with VBC via compound 17 | | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | 登録日 | 2023-09-13 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
|
|
5APE
 | | Hen Egg White Lysozyme reference dataset odd frames | | 分子名称: | LYSOZYME C, SODIUM ION | | 著者 | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | | 登録日 | 2015-09-15 | | 公開日 | 2016-01-13 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal
Struct.Dyn., 2, 2015
|
|
5AR1
 | | Crystal structure of Cdc11 from Saccharomyces cerevisiae | | 分子名称: | CELL DIVISION CONTROL PROTEIN 11 | | 著者 | Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T. | | 登録日 | 2015-09-23 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae.
J.Struct.Biol., 193, 2016
|
|
5C9L
 | | Crystal structure of native PLL lectin from Photorhabdus luminescens at 1.65 A resolution | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M. | | 登録日 | 2015-06-27 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
J.Biol.Chem., 291, 2016
|
|
5C8L
 | | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NudF protein, ... | | 著者 | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | | 登録日 | 2015-06-25 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
|
|
7KCN
 | | Reconstructed ancestor of HIUases and Transthyretins | | 分子名称: | 1,2-ETHANEDIOL, HIUase-TTR ancestor, PHOSPHATE ION | | 著者 | Nagem, R.A.P, Bleicher, L, Costa, M.A.F. | | 登録日 | 2020-10-06 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies.
J.Mol.Evol., 89, 2021
|
|
5BU5
 | |
5BWJ
 | | Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor | | 分子名称: | MAGNESIUM ION, NITRATE ION, Sensory transduction histidine kinase, ... | | 著者 | Bauer, W.J, Luthra, A, Zhu, G, Radolf, J.D, Malkowski, M.G, Caimano, M.J. | | 登録日 | 2015-06-08 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.054 Å) | | 主引用文献 | Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor: A system for sensing small molecules associated with tick feeding.
J.Struct.Biol., 192, 2015
|
|
5VW7
 | | NADPH soak of Y316A mutant of corn root ferredoxin:NADP+ reductase | | 分子名称: | ACETATE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | | 著者 | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | | 登録日 | 2017-05-21 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.608 Å) | | 主引用文献 | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
|
|
5BX4
 | | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ... | | 著者 | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | 登録日 | 2015-06-08 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
|
|
4UPD
 | | Open conformation of O. piceae sterol esterase mutant I544W | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, STEROL ESTERASE, TRIETHYLENE GLYCOL, ... | | 著者 | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | | 登録日 | 2014-06-16 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
|
|
6EM7
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ADP | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, UPF0418 protein FAM164A, ... | | 著者 | Mueller, J.M, Heine, A, Klebe, G. | | 登録日 | 2017-10-01 | | 公開日 | 2018-10-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.238 Å) | | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
|
|
7NLV
 | | WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II | | 分子名称: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin | | 著者 | Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | 登録日 | 2021-02-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
|
|
5W0A
 | | Crystal structure of Trichoderma harzianum endoglucanase I | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucanase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Godoy, A.S, Pellegrini, V.O.A, Sonoda, M.T, Kadowaki, M.A, Nascimento, A.S, Polikarpov, I. | | 登録日 | 2017-05-30 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.898 Å) | | 主引用文献 | Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides.
Biochim Biophys Acta Gen Subj, 1863, 2019
|
|
5J0L
 | | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | | 分子名称: | designed protein 3L6HC2_2 | | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | | 登録日 | 2016-03-28 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
|
|
6E64
 | |
