PDB: 1013 件ウェブページステータス検索Chemie searchBIRD

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7SPN	Crystal structure of IS11, a thermophilic esterase 分子名称: IS11 著者 Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. 登録日 2021-11-02 公開日 2022-08-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Crystal structure of IS11, a thermophilic esterase To Be Published
6TZJ	ADC-7 in complex with boronic acid transition state inhibitor ME_096 分子名称: Beta-lactamase, GLYCINE, [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid 著者 Fish, E.R, Powers, R.A, Wallar, B.J. 登録日 2019-08-12 公開日 2020-06-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
6TZF	ADC-7 in complex with boronic acid transition state inhibitor S17079 分子名称: 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid, Beta-lactamase 著者 Fish, E.R, Powers, R.A, Wallar, B.J. 登録日 2019-08-12 公開日 2020-06-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
4E3M	Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
6TZI	ADC-7 in complex with boronic acid transition state inhibitor PFC_001 分子名称: Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid 著者 Fish, E.R, Powers, R.A, Wallar, B.J. 登録日 2019-08-12 公開日 2020-06-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.744 Å) 主引用文献 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
6TZG	ADC-7 in complex with boronic acid transition state inhibitor S17083 分子名称: Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid 著者 Fish, E.R, Powers, R.A, Wallar, B.J. 登録日 2019-08-12 公開日 2020-06-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.816 Å) 主引用文献 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
4E3I	Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor 分子名称: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3L	Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4299 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N	Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
6UQS	Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors 分子名称: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION 著者 Scapin, G. 登録日 2019-10-21 公開日 2019-10-30 最終更新日 2020-01-15 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
7PA5	Complex between the beta-lactamase CMY-2 with an inhibitory nanobody 分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... 著者 Frederic Cawez, F.C, Frederic Kerff, F.K, Moreno Galleni, M.G, Raphael Herman, R.H. 登録日 2021-07-29 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.184 Å) 主引用文献 Development of Nanobodies as Theranostic Agents against CMY-2-Like Class C beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
2R9X	AmpC beta-lactamase with bound Phthalamide inhibitor 分子名称: 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... 著者 Babaoglu, K, Shoichet, B.K. 登録日 2007-09-13 公開日 2008-04-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
2R9W	AmpC beta-lactamase with bound Phthalamide inhibitor 分子名称: 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Babaoglu, K, Shoichet, B.K. 登録日 2007-09-13 公開日 2008-04-15 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
5JOC	Crystal structure of the S61A mutant of AmpC BER 分子名称: Beta-lactamase, CITRIC ACID 著者 Na, J.H, An, Y.J, Cha, S.S. 登録日 2016-05-02 公開日 2017-05-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural basis for the extended substrate spectrum of AmpC BER and structure-guided discovery of the inhibition activity of citrate against the class C beta-lactamases AmpC BER and CMY-10. Acta Crystallogr D Struct Biol, 72, 2016
5K1F	Crystal structure of a class C beta lactamase/compound2 complex 分子名称: Beta-lactamase, CADMIUM ION, INOSINIC ACID 著者 An, Y.J, Na, J.H, Cha, S.S. 登録日 2016-05-18 公開日 2017-05-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 GMP and IMP Are Competitive Inhibitors of CMY-10, an Extended-Spectrum Class C beta-Lactamase. Antimicrob. Agents Chemother., 61, 2017
2RCX	AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid 分子名称: (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION 著者 Morandi, F, Morandi, S, Prati, F, Shoichet, B.K. 登録日 2007-09-20 公開日 2007-11-27 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors Bioorg.Med.Chem., 16, 2008
7PU6	STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE 分子名称: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid 著者 Cea Rama, I, Sanz-Aparicio, J. 登録日 2021-09-28 公開日 2022-07-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
7PP3	STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ... 著者 Cea-Rama, I, Sanz-Aparicio, J. 登録日 2021-09-13 公開日 2022-07-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
7PP8	STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE 分子名称: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ... 著者 Cea-Rama, I, Sanz-Aparicio, J. 登録日 2021-09-13 公開日 2022-07-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
2WK0	Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate. 分子名称: (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, BETA-LACTAMASE, CHLORIDE ION, ... 著者 Sauvage, E, Zervosen, A, Dive, G, Herman, R, Kerff, F, Amoroso, A, Fonze, E, Pratt, R.F, Luxen, A, Charlier, P. 登録日 2009-06-03 公開日 2009-12-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate. J.Am.Chem.Soc., 131, 2009
2WZZ	AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03 分子名称: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, CHLORIDE ION 著者 Fitzgerald, P.M.D, Sharma, N, Lu, J. 登録日 2009-12-03 公開日 2010-01-12 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem. Bioorg.Med.Chem.Lett., 20, 2010
5K1D	Crystal structure of a class C beta lactamase/compound1 complex 分子名称: Beta-lactamase, CADMIUM ION, GUANOSINE-5'-MONOPHOSPHATE 著者 AN, Y.J, Na, J.H, Cha, S.S. 登録日 2016-05-18 公開日 2017-05-17 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 GMP and IMP Are Competitive Inhibitors of CMY-10, an Extended-Spectrum Class C beta-Lactamase. Antimicrob. Agents Chemother., 61, 2017
2WZX	AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02 分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION 著者 Fitzgerald, P.M.D, Sharma, N, Lu, J. 登録日 2009-12-03 公開日 2010-01-12 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem. Bioorg.Med.Chem.Lett., 20, 2010
4XUX	Structure of ampC bound to RPX-7009 at 1.75 A 分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ... 著者 Clifton, M.C, Abendroth, J. 登録日 2015-01-26 公開日 2015-04-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. J.Med.Chem., 58, 2015

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