7ON5
 
 | | Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06 | | 分子名称: | 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06 | | 著者 | Aksu, M, Guttler, T, Gorlich, D. | | 登録日 | 2021-05-25 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
|
|
1XB9
 | | The structure and function of Xenopus NO38-core, a histone chaperone in the nucleolus | | 分子名称: | Nucleophosmin | | 著者 | Namboodiri, V.M, Akey, I.V, Schmidt-Zachmann, M.S, Head, J.F, Akey, C.W. | | 登録日 | 2004-08-30 | | 公開日 | 2004-12-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Structure and Function of Xenopus NO38-Core, a Histone Chaperone in the Nucleolus.
Structure, 12, 2004
|
|
5LVA
 | |
5KUJ
 | | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium. | | 分子名称: | Calcium uniporter protein, mitochondrial, MAGNESIUM ION | | 著者 | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | | 登録日 | 2016-07-13 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
|
|
6ZJK
 | |
7OLX
 | | MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | | 分子名称: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | 登録日 | 2021-05-20 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
|
|
7OZM
 | | Crystal Structure of mtbMGL K74A (Closed Cap Conformation) | | 分子名称: | ISOPROPYL ALCOHOL, Monoacylglycerol lipase | | 著者 | Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M. | | 登録日 | 2021-06-28 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket.
Biomolecules, 11, 2021
|
|
7P0Y
 | | Crystal Structure of mtbMGL K74A (Substrate Analog Complex) | | 分子名称: | 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane, Monoacylglycerol lipase | | 著者 | Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M. | | 登録日 | 2021-06-30 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket.
Biomolecules, 11, 2021
|
|
7OLV
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | | 分子名称: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | 登録日 | 2021-05-20 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
|
|
7OLS
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | | 分子名称: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | 登録日 | 2021-05-20 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
|
|
5DC6
 | | Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate | | 分子名称: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | | 著者 | Decroos, C, Lee, M.S, Christianson, D.W. | | 登録日 | 2015-08-23 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | | 主引用文献 | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
|
|
6YZK
 | | Carborane closo-pentyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
5MBY
 | | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and GlyPro ligand | | 分子名称: | GLYCEROL, GLYCINE, HYDROXIDE ION, ... | | 著者 | Wilk, P, Piwowarczyk, R, Mueller, U, Dobbek, H, Weiss, M.S. | | 登録日 | 2016-11-09 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
|
|
6YZR
 | | Carborane nido-butyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
5CR0
 | |
7OTD
 | | Oxytocin NMR solution structure | | 分子名称: | AMINO GROUP, COPPER (II) ION, UNK-TYR-ILE-GLN-ASN-CYS-PRO-LEU-GLY | | 著者 | Shalev, D.E, Alshanski, I, Yitzchaik, S, Hurevich, M. | | 登録日 | 2021-06-10 | | 公開日 | 2021-10-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Determining the structure and binding mechanism of oxytocin-Cu 2+ complex using paramagnetic relaxation enhancement NMR analysis.
J.Biol.Inorg.Chem., 26, 2021
|
|
6ZA6
 | | M. tuberculosis salicylate synthase MbtI in complex with Ba2+ | | 分子名称: | BARIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | 登録日 | 2020-06-04 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.804 Å) | | 主引用文献 | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
|
|
1X7B
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041 | | 分子名称: | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | 著者 | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | 登録日 | 2004-08-13 | | 公開日 | 2005-03-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
|
|
1XDB
 | | Crystal Structure of the Nitrogenase Fe protein Asp129Glu | | 分子名称: | IRON/SULFUR CLUSTER, Nitrogenase iron protein 1 | | 著者 | Jang, S.B, Jeong, M.S, Seefeldt, L.C, Peters, J.W. | | 登録日 | 2004-09-05 | | 公開日 | 2005-03-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and biochemical implications of single amino acid substitutions in the nucleotide-dependent switch regions of the nitrogenase Fe protein from Azotobacter vinelandii
J.Biol.Inorg.Chem., 9, 2004
|
|
7OVH
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931) | | 分子名称: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | | 登録日 | 2021-06-14 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
|
|
7OVE
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210) | | 分子名称: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F. | | 登録日 | 2021-06-14 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
|
|
7OVF
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207) | | 分子名称: | 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | | 登録日 | 2021-06-14 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
|
|
7P9C
 | | Escherichia coli type II L-asparaginase | | 分子名称: | L-asparaginase 2 | | 著者 | Maggi, M, Scotti, C. | | 登録日 | 2021-07-27 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Revealing Escherichia coli type II L-asparaginase active site flexible loop in its open, ligand-free conformation.
Sci Rep, 11, 2021
|
|
6ZA5
 | | M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+ | | 分子名称: | 2-HYDROXYBENZOIC ACID, ACETATE ION, MAGNESIUM ION, ... | | 著者 | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | 登録日 | 2020-06-04 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.109 Å) | | 主引用文献 | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
|
|
2VJY
 | | Pyruvate decarboxylase from Kluyveromyces lactis in complex with the substrate analogue methyl acetylphosphonate | | 分子名称: | MAGNESIUM ION, METHYL HYDROGEN (S)-ACETYLPHOSPHONATE, PYRUVATE DECARBOXYLASE, ... | | 著者 | Kutter, S, Wille, G, Weiss, M.S, Konig, S. | | 登録日 | 2007-12-14 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Covalently Bound Substrate at the Regulatory Site of Yeast Pyruvate Decarboxylases Triggers Allosteric Enzyme Activation.
J.Biol.Chem., 284, 2009
|
|
