7ZN6
| Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kosinas, C, Dimarogona, M, Zerva, A, Topakas, E. | 登録日 | 2022-04-20 | 公開日 | 2023-06-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role. Acta Crystallogr D Struct Biol, 79, 2023
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7JVG
| Cellular retinol-binding protein 2 (CRBP2) in complex with 1-arachidonoylglycerol | 分子名称: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, Retinol-binding protein 2 | 著者 | Silvaroli, J.A, Golczak, M. | 登録日 | 2020-08-21 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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6P0M
| Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | 分子名称: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | 登録日 | 2019-05-17 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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7K3I
| Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol | 分子名称: | 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2 | 著者 | Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M. | 登録日 | 2020-09-11 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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8PT8
| JNK1 covalently bound to RU135 cyclohexenone based inhibitor | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | 著者 | Sok, P, Poti, A, Remenyi, A. | 登録日 | 2023-07-13 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond To Be Published
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6EDW
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6P08
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7POS
| PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide | 分子名称: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Rowland, P, Convery, M. | 登録日 | 2021-09-09 | 公開日 | 2021-09-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | 主引用文献 | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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6AUC
| Artificial metalloproteins containing a Co4O4 active site - 2xm-Sav | 分子名称: | N-biotin-C-Co4(mu3-O)4(Py)4(H2O)4-beta-alanine, Streptavidin | 著者 | Olshansky, L, Vallapurackal, J, Huerta-Lavorie, R, Tilley, T.D, Borovik, A.S. | 登録日 | 2017-08-31 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Artificial Metalloproteins Containing Co J. Am. Chem. Soc., 140, 2018
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8PTV
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7JVY
| Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether | 分子名称: | 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol, Retinol-binding protein 2 | 著者 | Silvaroli, J.A, Banarjee, S, Golczak, M. | 登録日 | 2020-08-24 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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5TG2
| 1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer) | 分子名称: | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | 登録日 | 2016-09-27 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease. Eur J Med Chem, 127, 2016
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7PNR
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6P0F
| N-terminal domain of Thermococcus Gammatolerans McrB | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMMONIUM ION, GTPase subunit of restriction endonuclease, ... | 著者 | Hosford, C.J, Chappie, J.S. | 登録日 | 2019-05-17 | 公開日 | 2019-12-18 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (1.683 Å) | 主引用文献 | The structure of theThermococcus gammatoleransMcrB N-terminal domain reveals a new mode of substrate recognition and specificity among McrB homologs. J.Biol.Chem., 295, 2020
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8PH1
| Crystal structure of the metallo-beta-lactamase VIM1 with 3708 | 分子名称: | 7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | 登録日 | 2023-06-18 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3708 To Be Published
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6EEN
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6P0Y
| Cryptosporidium parvum pyruvate kinase in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Schormann, N, Chattopadhyay, D. | 登録日 | 2019-05-17 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | An overview of structure, function, and regulation of pyruvate kinases. Protein Sci., 28, 2019
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6IBR
| Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol epoxide LWA481 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rowland, R.J, Wu, L, Davies, G.J. | 登録日 | 2018-11-30 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease Chem Sci, 2019
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7PHX
| Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | 著者 | Pereira, P.J.B, Ripoll-Rozada, J, Calisto, B.M. | 登録日 | 2021-08-18 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues. Chem.Commun.(Camb.), 57, 2021
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6AUS
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile | 分子名称: | 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-09-01 | 公開日 | 2018-07-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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7JXU
| Structure of monobody 32 human MLKL pseudokinase domain complex | 分子名称: | 1,2-ETHANEDIOL, Mixed lineage kinase domain-like protein, Monobody 32 | 著者 | Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M. | 登録日 | 2020-08-28 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis. Nat Commun, 12, 2021
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8PGI
| Crystal structure of the metallo-beta-lactamase VIM1 with 2984 | 分子名称: | 7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | 登録日 | 2023-06-18 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2984 To Be Published
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6P0J
| Crystal structure of GDP-bound human RalA | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | 登録日 | 2019-05-17 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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6AV6
| Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-09-01 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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8PGJ
| Crystal structure of the metallo-beta-lactamase VIM1 with 2985 | 分子名称: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | 登録日 | 2023-06-18 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2985 To Be Published
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