3KIG
| Mutant carbonic anhydrase II in complex with an azide and an alkyne | 分子名称: | 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G. | 登録日 | 2009-11-02 | 公開日 | 2010-11-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. Chemistry, 17, 2011
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3NLT
| Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}- N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, CACODYLIC ACID, ... | 著者 | Xue, F, Li, H, Fang, J, Delker, S.L, Poulos, T.L, Silverman, R.B. | 登録日 | 2010-06-21 | 公開日 | 2011-01-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc., 132, 2010
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7MWT
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3NLU
| Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Xue, F, Li, H, Fang, J, Delker, S.L, Poulos, T.L, Silverman, R.B. | 登録日 | 2010-06-21 | 公開日 | 2011-01-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc., 132, 2010
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7MWV
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6XW0
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8D91
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4PE7
| Crystal Structure of Calcium-loaded S100B bound to SC1982 | 分子名称: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | 著者 | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | 登録日 | 2014-04-22 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.652 Å) | 主引用文献 | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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3MNU
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3BHR
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4AXF
| InsP5 2-K in complex with Ins(3,4,5,6)P4 plus AMPPNP | 分子名称: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, Myo inositol 3,4,5,6 tetrakisphosphate, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B. | 登録日 | 2012-06-12 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Conformational Changes Undergone by Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Upon Substrate Binding: The Role of N-Lobe and Enantiomeric Substrate Preference J.Biol.Chem., 287, 2012
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3FR2
| N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors | 分子名称: | 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte | 著者 | Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Rondahl, L, Uppenberg, J, Svensson, S, Lundb ck, T. | 登録日 | 2009-01-08 | 公開日 | 2009-03-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3FCL
| Complex of UNG2 and a fragment-based designed inhibitor | 分子名称: | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | 著者 | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | 登録日 | 2008-11-21 | 公開日 | 2009-04-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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6MVZ
| Mle-Phe-Mle-Phe. Linear precursor of pseudoxylallemycin A. | 分子名称: | Linear precursor of pseudoxylallemycin A, trifluoroacetic acid | 著者 | Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. | 登録日 | 2018-10-29 | 公開日 | 2019-09-11 | 実験手法 | X-RAY DIFFRACTION (0.83 Å) | 主引用文献 | Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
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3KNE
| Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ... | 著者 | Schulze-Wischeler, J, Heine, A, Klebe, G. | 登録日 | 2009-11-12 | 公開日 | 2011-05-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. Chemistry, 17, 2011
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3T1U
| Crystal Structure of the complex of Cyclophilin-A enzyme from Azotobacter vinelandii with sucAFPFpNA peptide | 分子名称: | Peptidyl-prolyl cis-trans isomerase, succinyl-Ala-Phe-Pro-Phe-p-nitroanilide | 著者 | Karpusas, M, Christoforides, E, Bethanis, K, Dimou, M, Katinakis, P. | 登録日 | 2011-07-22 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of a bacterial cytoplasmic cyclophilin A in complex with a tetrapeptide. Acta Crystallogr.,Sect.F, 68, 2012
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5EJ7
| EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 21 s | 分子名称: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | 著者 | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | 登録日 | 2015-11-01 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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3KKD
| Structure of a putative tetr transcriptional regulator (pa3699) from pseudomonas aeruginosa pa01 | 分子名称: | POLYETHYLENE GLYCOL (N=34), SULFATE ION, TRIETHYLENE GLYCOL, ... | 著者 | Filippova, E.V, Chruszcz, M, Cymborowski, M, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-11-05 | 公開日 | 2009-12-15 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of a Putative TetR Transcriptional Regulator (PA3699) from Pseudomonas Aeruginosa PA01 To be Published
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5EJ5
| EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 1.5 h | 分子名称: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | 著者 | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | 登録日 | 2015-11-01 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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6QIX
| The crystal structure of Trichuris muris p43 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | 著者 | Levy, C.W. | 登録日 | 2019-01-21 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function. Nat Commun, 10, 2019
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4BUZ
| SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ... | 著者 | Weyand, M, Lakshminarasimhan, M, Gertz, M, Steegborn, C. | 登録日 | 2013-06-24 | 公開日 | 2013-07-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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4BV3
| CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | 著者 | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | 登録日 | 2013-06-24 | 公開日 | 2013-07-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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5S4J
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | 分子名称: | 6-chlorotetrazolo[1,5-b]pyridazine, 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 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.124 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4BVB
| CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... | 著者 | Gertz, M, Weyand, M, Steegborn, C. | 登録日 | 2013-06-25 | 公開日 | 2013-07-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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6GFM
| Crystal structure of the Escherichia coli nucleosidase PpnN (pppGpp-form) | 分子名称: | Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) | 著者 | Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E. | 登録日 | 2018-05-01 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | (p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch. Mol.Cell, 74, 2019
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