2Q6C
 
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | 分子名称: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | 著者 | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | 登録日 | 2007-06-04 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2Q6B
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | 分子名称: | (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | 著者 | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | 登録日 | 2007-06-04 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
4OYD
 | | Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor | | 著者 | Shen, B, Procko, E, Baker, D, Stoddard, B. | | 登録日 | 2014-02-11 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
|
|
7QHE
 | | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
|
|
7QHD
 | | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
|
|
2J3T
 | | The crystal structure of the bet3-trs33-bet5-trs23 complex. | | 分子名称: | PALMITIC ACID, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 1, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3, ... | | 著者 | Kim, Y, Oh, B. | | 登録日 | 2006-08-23 | | 公開日 | 2006-11-22 | | 最終更新日 | 2011-10-26 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The Architecture of the Multisubunit Trapp I Complex Suggests a Model for Vesicle Tethering.
Cell(Cambridge,Mass.), 127, 2006
|
|
8H56
 | |
3VJE
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus in complex with zaragozic acid A | | 分子名称: | Dehydrosqualene synthase, Zaragozic acid A | | 著者 | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | 登録日 | 2011-10-14 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
|
|
3VJD
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus | | 分子名称: | Dehydrosqualene synthase, L(+)-TARTARIC ACID | | 著者 | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | 登録日 | 2011-10-14 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
|
|
7N7Y
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050 | | 分子名称: | Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-06-11 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
|
|
7N83
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438 | | 分子名称: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-06-12 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
|
|
7N7W
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569 | | 分子名称: | N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-06-11 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
|
|
7N7R
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267 | | 分子名称: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-06-11 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
|
|
7N7U
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7 | | 分子名称: | 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-06-11 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
|
|
3F31
 | | Crystal Structure of the N-terminal region of AlphaII-spectrin Tetramerization Domain | | 分子名称: | Spectrin alpha chain, brain | | 著者 | Mehboob, S, Santarsiero, B.D, Long, F, Witek, M, Fung, L.W. | | 登録日 | 2008-10-30 | | 公開日 | 2009-10-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the nonerythroid alpha-spectrin tetramerization site reveals differences between erythroid and nonerythroid spectrin tetramer formation.
J.Biol.Chem., 285, 2010
|
|
2N44
 | | EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target ER690 | | 分子名称: | Maltose-binding periplasmic protein | | 著者 | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2015-06-16 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
|
|
2N45
 | | EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data with a second set of RDC data simulated for an alternative alignment tensor. Northeast Structural Genomics Consortium target ER690 | | 分子名称: | Maltose-binding periplasmic protein | | 著者 | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2015-06-17 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
|
|
7BU9
 | |
7BQZ
 | |
4EEF
 | |
7CM4
 | | Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59 | | 分子名称: | 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ... | | 著者 | Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J. | | 登録日 | 2020-07-24 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein.
Nat Commun, 12, 2021
|
|
4HCO
 | |
4H5X
 | |
4H71
 | | Human Plk1-PBD in complex with Poloxime ((E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone) | | 分子名称: | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime, GLYCEROL, Serine/threonine-protein kinase PLK1 | | 著者 | Yin, Z, Rehse, P.H. | | 登録日 | 2012-09-19 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Thymoquinone Blocks pSer/pThr Recognition by Plk1 Polo-Box
Domain As a Phosphate Mimic
Acs Chem.Biol., 8, 2013
|
|
5S72
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with BBL029427 | | 分子名称: | CITRIC ACID, N-(2-aminoethyl)-N'-phenylurea, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2020-11-13 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
|
|
