PDB: 16941 件ウェブページステータス検索Chemie searchBIRD

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2RBW	Cytochrome C Peroxidase W191G in complex with 1,2-dimethyl-1h-pyridin-5-amine 分子名称: 5-amino-1,2-dimethylpyridinium, Cytochrome C Peroxidase, PHOSPHATE ION, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RC0	Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine 分子名称: (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, PHOSPHATE ION, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
1LI2	T4 Lysozyme Mutant L99A/M102Q Bound by Phenol 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... 著者 Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. 登録日 2002-04-17 公開日 2002-05-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
1LGU	T4 Lysozyme Mutant L99A/M102Q 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme 著者 Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. 登録日 2002-04-16 公開日 2002-05-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
1LGW	T4 Lysozyme Mutant L99A/M102Q Bound by 2-fluoroaniline 分子名称: 2-FLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. 登録日 2002-04-16 公開日 2002-05-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
1LI3	T4 lysozyme mutant L99A/M102Q bound by 3-chlorophenol 分子名称: 3-CHLOROPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. 登録日 2002-04-17 公開日 2002-05-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
1LGX	T4 Lysozyme Mutant L99A/M102Q Bound by 3,5-difluoroaniline 分子名称: 3,5-DIFLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. 登録日 2002-04-16 公開日 2002-05-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
1LI6	T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole 分子名称: 5-METHYLPYRROLE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. 登録日 2002-04-17 公開日 2002-05-08 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
2RB1	2-ethoxyphenol in complex with T4 lysozyme L99A 分子名称: 2-ethoxyphenol, Lysozyme, PHOSPHATE ION 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-17 公開日 2008-06-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing J.Mol.Biol., 377, 2008
3E3A	The Structure of Rv0554 from Mycobacterium tuberculosis 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, POSSIBLE PEROXIDASE BPOC 著者 Johnston, J.M, Baker, E.N. 登録日 2008-08-06 公開日 2009-06-23 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis. Acta Crystallogr.,Sect.D, 66, 2010
3NDF	Cleaved antitrypsin with P8-P6 Asp 分子名称: Alpha-1-antitrypsin 著者 Huntington, J.A, Sendall, T.J, Yamasaki, M. 登録日 2010-06-07 公開日 2010-07-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Loop-sheet mechanism of serpin polymerization tested by reactive center loop mutations J. Biol. Chem., 285, 2010
3NDD	Cleaved antitrypsin with P10 Pro, and P9-P6 Asp 分子名称: Alpha-1-antitrypsin 著者 Yamasaki, M, Sendall, T.J, Huntington, J.A. 登録日 2010-06-07 公開日 2010-07-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Loop-sheet mechanism of serpin polymerization tested by reactive center loop mutations J. Biol. Chem., 285, 2010
3HYS	Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALONIC ACID, ... 著者 Johnston, J.M, Baker, E.N. 登録日 2009-06-23 公開日 2010-06-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis. Acta Crystallogr.,Sect.D, 66, 2010
3HSS	A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... 著者 Johnston, J.M, Baker, E.N. 登録日 2009-06-10 公開日 2010-05-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis. Acta Crystallogr.,Sect.D, 66, 2010
5KP3	Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y57(Cl-Y) 分子名称: EQUILENIN, SULFATE ION, Steroid Delta-isomerase 著者 Wu, Y, Boxer, S.G. 登録日 2016-07-01 公開日 2016-09-07 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase. J.Am.Chem.Soc., 138, 2016
5KP1	Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y16(Cl-Y) 分子名称: EQUILENIN, SULFATE ION, Steroid Delta-isomerase 著者 Wu, Y, Boxer, S.G. 登録日 2016-07-01 公開日 2016-09-07 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (1.218 Å) 主引用文献 A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase. J.Am.Chem.Soc., 138, 2016
8FG2	SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients 分子名称: Nucleoprotein 著者 Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. 登録日 2022-12-12 公開日 2023-01-11 最終更新日 2023-10-11 実験手法 ELECTRON MICROSCOPY (6 Å) 主引用文献 Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests. Microsc Microanal, 29, 2023
8FD5	Nucleocapsid monomer structure from SARS-CoV-2 分子名称: Nucleoprotein 著者 Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. 登録日 2022-12-02 公開日 2023-01-11 最終更新日 2023-10-11 実験手法 ELECTRON MICROSCOPY (4.57 Å) 主引用文献 Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests. Microsc Microanal, 29, 2023
6PCU	VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9 分子名称: GLYCEROL, Outer capsid protein VP4, SULFATE ION, ... 著者 Hu, L, Venkataram Prasad, B.V. 登録日 2019-06-18 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells. J.Clin.Invest., 130, 2019
6T9S	Human Butyrylcholinesterase in complex with 2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide 分子名称: (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(5-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Brazzolotto, X, Sinko, G, Marakovic, N, Knezevic, A. 登録日 2019-10-28 公開日 2020-07-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases. Biochem.J., 477, 2020
7U5Z	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with JLJ353 分子名称: 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. 登録日 2022-03-03 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 84, 2023
4UQV	methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP 分子名称: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE 著者 Saccoccia, F, Angelucci, F, Ilari, A. 登録日 2014-06-25 公開日 2014-07-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures. Proteins, 82, 2014
6T9P	Human Butyrylcholinesterase in complex with 2-(N-hydroxyimino)-N-[(1R)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide 分子名称: (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[1-deoxy-alpha-D-tagatopyranose-(2-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Brazzolotto, X, Sinko, G, Marakovic, N, Knezevic, A. 登録日 2019-10-28 公開日 2020-07-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases. Biochem.J., 477, 2020
6FU1	Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate 分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ... 著者 Marek, M, Shaik, T.B, Romier, C. 登録日 2018-02-26 公開日 2019-03-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.548 Å) 主引用文献 A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. Molecules, 23, 2018
6BGA	2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 peptide,MHC I-Ek B chain, ... 著者 Gee, M.H, Sibener, L.V, Birnbaum, M.E, Jude, K.M, Garcia, K.C. 登録日 2017-10-27 公開日 2018-07-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.307 Å) 主引用文献 Stress-testing the relationship between T cell receptor/peptide-MHC affinity and cross-reactivity using peptide velcro. Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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