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7NB5
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BU of 7nb5 by Molmil
Structure of EstD11 S144A in complex with naproxen p-nitrophenol ester
分子名称: (4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate, EstD11 S144A
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2021-01-25
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
3ESX
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BU of 3esx by Molmil
E16KE61KD126KD150K Flavodoxin from Anabaena
分子名称: CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Goni, G, Medina, M.
登録日2008-10-06
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
5M18
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BU of 5m18 by Molmil
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
5LY7
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BU of 5ly7 by Molmil
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
3ESY
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BU of 3esy by Molmil
E16KE61K Flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Goni, G, Medina, M.
登録日2008-10-06
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
5CYB
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BU of 5cyb by Molmil
Structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Carrasco-Lopez, C, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.A.
登録日2015-07-30
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unraveling the function and structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
To Be Published
5EHD
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BU of 5ehd by Molmil
Crystal structure of human nucleophosmin-core in complex with cytochrome c
分子名称: CHLORIDE ION, Nucleophosmin
著者Bernardo-Garcia, N, Hermoso, J.A, Gonzalez-Arzola, K, Diaz-Moreno, I, De la Rosa, M.A.
登録日2015-10-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of human nucleophosmin-core in complex with cytochrome c
To Be Published
2BGI
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BU of 2bgi by Molmil
X-Ray Structure of the Ferredoxin-NADP(H) Reductase from Rhodobacter capsulatus complexed with three molecules of the detergent n-heptyl- beta-D-thioglucoside at 1.7 Angstroms
分子名称: CARBON DIOXIDE, FERREDOXIN-NADP(H) REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Perez-Dorado, J.I, Hermoso, J.A, Nogues, I, Frago, S, Bittel, C, Mayhew, S.G, Gomez-Moreno, C, Medina, M, Cortez, N, Carrillo, N.
登録日2004-12-23
公開日2005-09-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献The Ferredoxin-Nadp(H) Reductase from Rhodobacter Capsulatus: Molecular Structure and Catalytic Mechanism
Biochemistry, 44, 2005
2BGJ
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BU of 2bgj by Molmil
X-Ray Structure of the Ferredoxin-NADP(H) Reductase from Rhodobacter capsulatus at 2.1 Angstroms
分子名称: FERREDOXIN-NADP(H) REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Perez-Dorado, J.I, Hermoso, J.A, Nogues, I, Frago, S, Bittel, C, Mayhew, S.G, Gomez-Moreno, C, Medina, M, Cortez, N, Carrillo, N.
登録日2004-12-23
公開日2005-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The ferredoxin-NADP(H) reductase from Rhodobacter capsulatus: molecular structure and catalytic mechanism.
Biochemistry, 44, 2005
4HQS
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BU of 4hqs by Molmil
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
4HQZ
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BU of 4hqz by Molmil
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
6Q9N
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BU of 6q9n by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
分子名称: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
登録日2018-12-18
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6Q70
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BU of 6q70 by Molmil
Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of HEPES
分子名称: Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ...
著者Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
登録日2018-12-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
6YAB
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BU of 6yab by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with uridine
分子名称: ACETATE ION, CACODYLATE ION, Lipoprotein, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-12
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YA3
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BU of 6ya3 by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with guanosine
分子名称: GUANOSINE, Lipoprotein, NICKEL (II) ION
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-11
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YA4
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BU of 6ya4 by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with cytidine
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-11
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6Y9U
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BU of 6y9u by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with adenosine
分子名称: ACETATE ION, ADENOSINE, Lipoprotein, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-10
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAG
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BU of 6yag by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with thymidine
分子名称: ACETATE ION, Lipoprotein, NICKEL (II) ION, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-12
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6Z4W
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BU of 6z4w by Molmil
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
6Q72
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BU of 6q72 by Molmil
Crystal structure of the alanine racemase from Bacillus subtilis in the presence of only PEG 4000 and Magnesium chloride in the crystallization condition
分子名称: Alanine racemase 2, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE
著者Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
登録日2018-12-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
6Z63
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BU of 6z63 by Molmil
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
6Z67
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BU of 6z67 by Molmil
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
6Q71
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BU of 6q71 by Molmil
Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of Bis-Tris propane
分子名称: Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ...
著者Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
登録日2018-12-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
6I7N
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BU of 6i7n by Molmil
Trypanothione Reductase from Leismania infantum in complex with TRL156
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Carriles, A.A, Hermoso, J.A.
登録日2018-11-16
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.
Acs Infect Dis., 5, 2019
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-26
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019

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