5A93
| 293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY | 分子名称: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | 著者 | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | 登録日 | 2015-07-17 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION | 主引用文献 | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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1IYO
| Toho-1 beta-Lactamase In Complex With Cefotaxime | 分子名称: | CEFOTAXIME, C3' cleaved, open, ... | 著者 | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | 登録日 | 2002-09-04 | 公開日 | 2002-12-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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1IYS
| Crystal Structure of Class A beta-Lactamase Toho-1 | 分子名称: | BETA-LACTAMASE TOHO-1, SULFATE ION | 著者 | Ibuka, A.S, Ishii, Y, Yamaguchi, K, Matsuzawa, H, Sakai, H. | 登録日 | 2002-09-06 | 公開日 | 2003-10-14 | 最終更新日 | 2022-12-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal Structure of Extended-Spectrum beta-Lactamase Toho-1: Insights into the Molecular Mechanism for
Catalytic Reaction and Substrate Specificity Expansion Biochemistry, 42, 2003
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1IYQ
| Toho-1 beta-Lactamase In Complex With Benzylpenicillin | 分子名称: | OPEN FORM - PENICILLIN G, SULFATE ION, Toho-1 beta-lactamase | 著者 | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | 登録日 | 2002-09-04 | 公開日 | 2002-12-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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1IYP
| Toho-1 beta-Lactamase In Complex With Cephalothin | 分子名称: | CEPHALOTHIN GROUP, SULFATE ION, Toho-1 beta-lactamase | 著者 | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | 登録日 | 2002-09-04 | 公開日 | 2002-12-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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5G18
| Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate | 分子名称: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION | 著者 | Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L. | 登録日 | 2016-03-23 | 公開日 | 2016-11-09 | 最終更新日 | 2019-10-23 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate. Antimicrob. Agents Chemother., 61, 2017
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2WYX
| Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | 分子名称: | BETA-LACTAMSE TOHO-1 | 著者 | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | 登録日 | 2009-11-20 | 公開日 | 2010-01-12 | 最終更新日 | 2024-05-08 | 実験手法 | NEUTRON DIFFRACTION (2.1 Å) | 主引用文献 | Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant J.Mol.Biol., 396, 2010
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2XQZ
| Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | 分子名称: | BETA-LACTAMSE TOHO-1 | 著者 | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | 登録日 | 2010-09-08 | 公開日 | 2010-12-22 | 最終更新日 | 2024-05-08 | 実験手法 | NEUTRON DIFFRACTION (2.1 Å) | 主引用文献 | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation. FEBS Lett., 585, 2011
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2XR0
| Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | 分子名称: | SULFATE ION, TOHO-1 BETA-LACTAMASE | 著者 | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | 登録日 | 2010-09-08 | 公開日 | 2010-12-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation. FEBS Lett., 585, 2011
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2ZQD
| Ceftazidime acyl-intermediate structure of class a beta-lact Toho-1 E166A/R274N/R276N triple mutant | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase Toho-1, SULFATE ION | 著者 | Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M. | 登録日 | 2008-08-07 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates To be Published
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2ZQ8
| Apo structure of class a beta-lactamase Toho-1 R274N/R276N double mutant | 分子名称: | Beta-lactamase Toho-1, SULFATE ION | 著者 | Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M. | 登録日 | 2008-08-07 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Improvement of crystal quality by surface mutations of beta-lactamase Toho-1 Acta Crystallogr.,Sect.F, 65, 2009
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2ZQ7
| Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant | 分子名称: | Beta-lactamase Toho-1, SULFATE ION | 著者 | Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M. | 登録日 | 2008-08-07 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | Improvement of the Crystal Quality by the Surface Mutations on a Beta-Lactamase Toho-1 To be Published
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2ZQA
| Cefotaxime acyl-intermediate structure of class a beta-lacta Toho-1 E166A/R274N/R276N triple mutant | 分子名称: | Beta-lactamase Toho-1, CEFOTAXIME, C3' cleaved, ... | 著者 | Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M. | 登録日 | 2008-08-07 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates To be Published
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2ZQ9
| Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1 E166A/R274N/R276N triple mutant | 分子名称: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase Toho-1, CEPHALOTHIN, ... | 著者 | Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M. | 登録日 | 2008-08-07 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates To be Published
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2ZQC
| Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant | 分子名称: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1, SULFATE ION | 著者 | Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M. | 登録日 | 2008-08-07 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates To be Published
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3BFC
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3BFF
| class A beta-lactamase SED-G238C complexed with faropenem | 分子名称: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, Class A beta-lactamase Sed1, ... | 著者 | Pernot, L, Petrella, S, Sougakoff, W. | 登録日 | 2007-11-21 | 公開日 | 2007-12-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | acyl-intermediate structures of the class A beta-lactamase SED-G238C To be Published
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