PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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5S3A	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1562205518 分子名称: 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, 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 (1.178 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
5S3G	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z384468096 分子名称: N-[(4-phenyloxan-4-yl)methyl]acetamide, 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 (1.14 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
5S3X	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0136 分子名称: (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid, 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 (1.13 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
5S4E	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2301685688 分子名称: 1H-imidazole-5-carbonitrile, DIMETHYL SULFOXIDE, 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 (1.07 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
5IDO	RNA Editing TUTase 1 from Trypanosoma brucei in complex with UTP 分子名称: 3' terminal uridylyl transferase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... 著者 Thore, S, Rajappa, L.T. 登録日 2016-02-24 公開日 2016-10-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
5KAL	Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU 分子名称: MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ... 著者 Stagno, J.R, Luecke, H, Afasizhev, R. 登録日 2016-06-01 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
6YXY	State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate 分子名称: 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N. 登録日 2020-05-04 公開日 2020-10-14 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis. Mol.Cell, 79, 2020
2IKF	Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP 分子名称: MAGNESIUM ION, RNA uridylyl transferase, URIDINE 5'-TRIPHOSPHATE 著者 Luecke, H, Stagno, J. 登録日 2006-10-02 公開日 2007-02-20 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 UTP-bound and Apo Structures of a Minimal RNA Uridylyltransferase. J.Mol.Biol., 366, 2007
4J68	Crystal structure of Ribonuclease A soaked in 40% Isopropanol: One of twelve in MSCS set 分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic, SULFATE ION 著者 Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. 登録日 2013-02-11 公開日 2014-01-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.779 Å) 主引用文献 DRoP: A program for analysis of water structure on protein surfaces to be published
8BQU	Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament 分子名称: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L. 登録日 2022-11-21 公開日 2024-03-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
6R37	T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid 分子名称: (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-03-19 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
5SA8	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z68299550 分子名称: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, 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 2021-05-19 公開日 2021-06-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.298 Å) 主引用文献 Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
2K2Y	Solution structure of the folded domain of intermediate IIIa of Tick Carboxypeptidase Inhibitor 分子名称: Carboxypeptidase inhibitor 著者 Pantoja-Uceda, D, Blanco, F. 登録日 2008-04-15 公開日 2009-01-27 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 The NMR structures of the major intermediates of the two-domain tick carboxypeptidase inhibitor reveal symmetry in its folding and unfolding pathways. J.Biol.Chem., 283, 2008
6Y4Q	Structure of a stapled peptide bound to MDM2 分子名称: ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide 著者 Pantelejevs, T, Bakanovych, I. 登録日 2020-02-22 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction. Org.Biomol.Chem., 18, 2020
6T68	Crystal structure of Trypanosoma brucei Morn1 分子名称: CHLORIDE ION, MORN repeat-containing protein 1 著者 Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. 登録日 2019-10-17 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
3OTX	Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Inhibitor AP5A 分子名称: Adenosine kinase, putative, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... 著者 Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R. 登録日 2010-09-14 公開日 2011-06-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation Plos Negl Trop Dis, 5, 2011
6T4R	Crystal structure of Trypanosoma brucei Morn1 分子名称: MORN repeat-containing protein 1 著者 Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. 登録日 2019-10-14 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.352 Å) 主引用文献 Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
2K2Z	Solution structure of the folded domain of intermediate IIIb of Tick Carboxypeptidase Inhibitor 分子名称: Carboxypeptidase inhibitor 著者 Pantoja-Uceda, D, Blanco, F. 登録日 2008-04-15 公開日 2009-01-27 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 The NMR structures of the major intermediates of the two-domain tick carboxypeptidase inhibitor reveal symmetry in its folding and unfolding pathways. J.Biol.Chem., 283, 2008
6NL1	Structure of T. brucei MERS1 protein in its apo form 分子名称: Mitochondrial edited mRNA stability factor 1, SULFATE ION 著者 Schumacher, M.A. 登録日 2019-01-07 公開日 2019-11-06 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.297 Å) 主引用文献 Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei. Rna, 26, 2020
5KRE	Covalent inhibitor of LYPLAL1 分子名称: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION 著者 Pandit, J. 登録日 2016-07-07 公開日 2016-07-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism. Acs Chem.Biol., 11, 2016
6R04	T. cruzi FPPS 分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R08	T. cruzi FPPS in complex with 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid 分子名称: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R06	T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol 分子名称: (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.559 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R0B	T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol 分子名称: 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.612 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R05	T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE 分子名称: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019

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