4BD0
 
 | | X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION | | 著者 | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | | 登録日 | 2012-10-04 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.207 Å) | | 主引用文献 | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
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4BD1
 | | Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE | | 著者 | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | | 登録日 | 2012-10-04 | | 公開日 | 2013-01-16 | | 最終更新日 | 2017-03-22 | | 実験手法 | NEUTRON DIFFRACTION (2.002 Å) | | 主引用文献 | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
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3H7I
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3H8J
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3H8S
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3H8W
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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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2X7V
 | | Crystal structure of Thermotoga maritima endonuclease IV in the presence of zinc | | 分子名称: | PROBABLE ENDONUCLEASE 4, ZINC ION | | 著者 | Tomanicek, S.J, Hughes, R.C, Ng, J.D, Coates, L. | | 登録日 | 2010-03-03 | | 公開日 | 2010-09-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the Endonuclease Iv Homologue from Thermotoga Maritima in the Presence of Active-Site Divalent Metal Ions
Acta Crystallogr.,Sect.F, 66, 2010
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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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2X7W
 | | Crystal structure of Thermotoga maritima endonuclease IV in the presence of cadmium and zinc | | 分子名称: | BICINE, CADMIUM ION, PROBABLE ENDONUCLEASE 4, ... | | 著者 | Tomanicek, S.J, Hughes, R.C, Ng, J.D, Coates, L. | | 登録日 | 2010-03-03 | | 公開日 | 2010-09-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structure of the Endonuclease Iv Homologue from Thermotoga Maritima in the Presence of Active-Site Divalent Metal Ions
Acta Crystallogr.,Sect.F, 66, 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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5A92
 | | 15K X-ray structure 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 | 2018-10-03 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 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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3KGG
 | | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction | | 分子名称: | CALCIUM ION, Diisopropyl-fluorophosphatase | | 著者 | Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | | 登録日 | 2009-10-29 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
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4C3Q
 | | Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K | | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1 | | 著者 | Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A. | | 登録日 | 2013-08-26 | | 公開日 | 2014-07-09 | | 最終更新日 | 2017-03-22 | | 実験手法 | NEUTRON DIFFRACTION (2.2 Å) | | 主引用文献 | Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
J.Appl.Crystallogr., 47, 2014
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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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5A91
 | | 15K X-ray ligand free: 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 Toho-1, SULFATE ION | | 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 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 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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5A90
 | | 100K Neutron Ligand Free: 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 | | 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 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å) | | 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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2JJJ
 | | Endothiapepsin in complex with a gem-diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-09 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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2JJI
 | | Endothiapepsin in complex with a gem-diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-09 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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3Q3L
 | | The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | | 分子名称: | CALCIUM ION, Tt-IPPase | | 著者 | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | | 登録日 | 2010-12-22 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å) | | 主引用文献 | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
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2VS2
 | | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-17 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | NEUTRON DIFFRACTION (2 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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