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PDB: 260 件
3ESZ
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K2AK3A Flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, GLYCEROL, ...
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J, 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 (1.94 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
2J8F
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Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a disaccharide- pentapeptide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, ALANINE, D-GLUTAMIC ACID, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXU
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Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXV
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Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-GLUTAMINE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8G
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BU of 2j8g by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a tetrasaccharide- pentapeptide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, D-GLUTAMIC ACID, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
8C0S
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BU of 8c0s by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor
分子名称: 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione, Regulatory protein BlaR1
著者Miguel-Ruano, V, Hermoso, J.A.
登録日2022-12-19
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Restoring Susceptibility to b-Lactam Antibiotics in Methicillin-Sensitive and Methicillin-Resistant Staphylococcus aureus
To Be Published
8C0P
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Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor
分子名称: Regulatory protein BlaR1, [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
著者Miguel-Ruano, V, Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-12-19
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Restoring Susceptibility to b-Lactam Antibiotics in Methicillin-Sensitive and Methicillin-Resistant Staphylococcus aureus
To Be Published
5IRP
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BU of 5irp by Molmil
Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis
分子名称: (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alanine racemase 2, ...
著者Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
登録日2016-03-14
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
7OK9
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Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine
分子名称: CADMIUM ION, CHLORIDE ION, Penicillin-binding protein 1, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-05-17
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O49
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Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-04-05
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4B
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Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with penicillin G
分子名称: CITRIC ACID, OPEN FORM - PENICILLIN G, Penicillin-binding protein 1, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-04-05
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
4MPI
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BU of 4mpi by Molmil
Crystal structure of the chitin-binding module (CBM18) of a chitinase-like protein from Hevea brasiliensis
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Class I chitinase
著者Martinez-Caballero, C.S, Hermoso, J.A, Rodriguez-Romero, A.
登録日2013-09-12
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
4MST
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BU of 4mst by Molmil
Crystal Structure of a putative catalytic domain of a chitinase-like protein (HbCLP1) from Hevea brasiliensis
分子名称: CHLORIDE ION, class I chitinase
著者Martinez-Caballero, S, Hermoso, J.A, Rodriguez-Romero, A.
登録日2013-09-18
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
7O4A
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BU of 7o4a by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with piperacillin
分子名称: Hydrolyzed piperacillin, Penicillin-binding protein 1
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-04-05
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.028 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4C
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BU of 7o4c by Molmil
Crystal structure of PASTA domains of the Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
分子名称: CHLORIDE ION, Penicillin-binding protein 1
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-04-05
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
2YP6
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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
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
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
6T98
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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
6T95
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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
2Y8P
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Crystal Structure of an Outer Membrane-Anchored Endolytic Peptidoglycan Lytic Transglycosylase (MltE) from Escherichia coli
分子名称: ENDO-TYPE MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE A
著者Artola-Recolons, C, Carrasco-Lopez, C, Llarrull, L.I, Kumarasiri, M, Lastochkin, E, Martinez-Ilarduya, I, Meindl, K, Uson, I, Mobashery, S, Hermoso, J.A.
登録日2011-02-08
公開日2011-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献High-Resolution Crystal Structure of Mlte, an Outer Membrane-Anchored Endolytic Peptidoglycan Lytic Transglycosylase from Escherichia Coli.
Biochemistry, 50, 2011
5I8L
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BU of 5i8l by Molmil
Crystal structure of the full-length cell wall-binding module of Cpl7 mutant R223A
分子名称: GLYCEROL, Lysozyme
著者Bernardo-Garcia, N, Silva-Martin, N, Uson, I, Hermoso, J.A.
登録日2016-02-19
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan.
Sci Rep, 7, 2017
6T97
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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
8B58
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Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Cyclosporin A
分子名称: Cyclosporin A, Peptidyl-prolyl cis-trans isomerase
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-09-22
公開日2023-02-01
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis for Cyclosporin Isoform-Specific Inhibition of Cyclophilins from Toxoplasma gondii .
Acs Infect Dis., 9, 2023
5M19
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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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