6YAG
 
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1TR1
 | | CRYSTAL STRUCTURE OF E96K MUTATED BETA-GLUCOSIDASE A FROM BACILLUS POLYMYXA, AN ENZYME WITH INCREASED THERMORESISTANCE | | 分子名称: | BETA-GLUCOSIDASE A, GLYCEROL | | 著者 | Sanz-Aparicio, J, Hermoso, J.A, Martinez-Ripoll, M, Gonzalez-Perez, B, Polaina, J. | | 登録日 | 1998-03-12 | | 公開日 | 1999-04-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of beta-glucosidase A from Bacillus polymyxa: insights into the catalytic activity in family 1 glycosyl hydrolases.
J.Mol.Biol., 275, 1998
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2Y2D
 | | crystal structure of AmpD holoenzyme | | 分子名称: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION | | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | 登録日 | 2010-12-14 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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2Y2C
 | | crystal structure of AmpD Apoenzyme | | 分子名称: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD | | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | 登録日 | 2010-12-14 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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2Y28
 | | crystal structure of Se-Met AmpD derivative | | 分子名称: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION | | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | 登録日 | 2010-12-14 | | 公開日 | 2011-07-20 | | 最終更新日 | 2011-12-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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6Z63
 | | FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | | 著者 | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A. | | 登録日 | 2020-05-27 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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2Y2B
 | | crystal structure of AmpD in complex with reaction products | | 分子名称: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | 登録日 | 2010-12-14 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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2Y2E
 | | crystal structure of AmpD grown at pH 5.5 | | 分子名称: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION | | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | 登録日 | 2010-12-14 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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6Z4W
 | | FtsE structure from Streptococcus pneumoniae in complex with ADP (space group P 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | | 著者 | Alcorlo, M, Straume, D, Hermoso, J.A, Havarstein, L.S. | | 登録日 | 2020-05-26 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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6Z67
 | | FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, j.A. | | 登録日 | 2020-05-28 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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2YP6
 | | Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with Cyclofos 3 TM | | 分子名称: | 3-Cyclohexyl-1-Propylphosphocholine, MALONATE ION, THIOREDOXIN FAMILY PROTEIN | | 著者 | Bartual, S.G, Shalek, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S. | | 登録日 | 2012-10-29 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.767 Å) | | 主引用文献 | Molecular Architecture of Streptococcus Pneumoniae Surface Thioredoxin-Fold Lipoproteins Crucial for Extracellular Oxidative Stress Resistance and Maintenance of Virulence.
Embo Mol.Med., 5, 2013
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5M18
 | | Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | | 分子名称: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | 著者 | Molina, R, Batuecas, M.T, Hermoso, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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5LY7
 | | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | | 分子名称: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER | | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | 登録日 | 2016-09-25 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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5M19
 | | Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand | | 分子名称: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | 著者 | Molina, R, Batuecas, M.T, Hermoso, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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5M1A
 | | Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand | | 分子名称: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | 著者 | Molina, R, Batuecas, M.T, Hermoso, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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6T98
 | | Trypanothione Reductase from Leishmania infantum in complex with 9a | | 分子名称: | 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Carriles, A.A, Hermoso, J.A. | | 登録日 | 2019-10-26 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity.
Eur.J.Med.Chem., 244, 2022
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6T95
 | | Trypanothione Reductase from Leismania infantum in complex with 4a | | 分子名称: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Carriles, A.A, Hermoso, J.A. | | 登録日 | 2019-10-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity.
Eur.J.Med.Chem., 244, 2022
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6T97
 | | Trypanothione Reductase from Leismania infantum in complex with TRL190 | | 分子名称: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Carriles, A, Hermoso, J.A. | | 登録日 | 2019-10-26 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity
To Be Published
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1O90
 | | Methionine Adenosyltransferase complexed with a L-methionine analogue | | 分子名称: | (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | | 登録日 | 2002-12-10 | | 公開日 | 2003-08-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
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1O92
 | | Methionine Adenosyltransferase complexed with ADP and a L-methionine analogue | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, ... | | 著者 | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | | 登録日 | 2002-12-10 | | 公開日 | 2003-08-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
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1O9T
 | | Methionine adenosyltransferase complexed with both substrates ATP and methionine | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, METHIONINE, ... | | 著者 | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | | 登録日 | 2002-12-18 | | 公開日 | 2003-08-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
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1O93
 | | Methionine Adenosyltransferase complexed with ATP and a L-methionine analogue | | 分子名称: | (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | | 登録日 | 2002-12-10 | | 公開日 | 2003-08-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | | 主引用文献 | Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
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1BGA
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4HQS
 | | Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_0659 (Etrx1) from Streptococcus pneumoniae strain TIGR4 | | 分子名称: | GLYCEROL, MAGNESIUM ION, Thioredoxin family protein | | 著者 | Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S. | | 登録日 | 2012-10-26 | | 公開日 | 2013-12-25 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
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4HQZ
 | | Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with 2-hydroxyethyl disulfide | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, DI(HYDROXYETHYL)ETHER, Thioredoxin family protein | | 著者 | Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S. | | 登録日 | 2012-10-26 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
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