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7O4B
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BU of 7o4b by Molmil
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
7OK9
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BU of 7ok9 by Molmil
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
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
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
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
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
2WC1
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BU of 2wc1 by Molmil
Three-dimensional Structure of the Nitrogen Fixation Flavodoxin (NifF) from Rhodobacter capsulatus at 2.2 A
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Perez-Dorado, I, Bittel, C, Hermoso, J.A, Cortez, N, Carrillo, N.
登録日2009-03-06
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural and Phylogenetic Analysis of Rhodobacter Capsulatus Niff: Uncovering General Features of Nitrogen-Fixation (Nif)-Flavodoxins.
Int.J.Mol.Sci., 14, 2013
8CPB
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1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution.
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ...
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2023-03-02
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8CP9
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1,6-anhydro-n-actetylmuramic acid kinase (AnmK)in complex with non-hydrolyzable AMPPNP.
分子名称: Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2023-03-02
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8C0U
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BU of 8c0u by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products
分子名称: (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-12-19
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
2VNK
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BU of 2vnk by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH NADP. FORM III AT 1.93 ANGSTROMS RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH:FERREDOXIN REDUCTASE
著者Perez-Dorado, I, Hermoso, J.A.
登録日2008-02-05
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase.
Biochim.Biophys.Acta, 1794, 2009
8C0P
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BU of 8c0p by Molmil
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
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
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
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
8CF3
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BU of 8cf3 by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with cefepime
分子名称: Cefepime (open), Regulatory protein BlaR1
著者Miguel-Ruano, V, Hermoso, J.A.
登録日2023-02-02
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
2VNH
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BU of 2vnh by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH NADP. FORM II AT 2.27 ANGSTROMS RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH:FERREDOXIN REDUCTASE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2008-02-05
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase.
Biochim.Biophys.Acta, 1794, 2009
2VNI
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BU of 2vni by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH 2P-AMP AT 2.37 ANGSTROMS RESOLUTION
分子名称: ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH:FERREDOXIN REDUCTASE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2008-02-05
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase.
Biochim.Biophys.Acta, 1794, 2009
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
5M18
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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
5M1A
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BU of 5m1a by Molmil
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
5M19
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BU of 5m19 by Molmil
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
5A8A
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Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with FMN and ADP (P3 2 21)
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M.
登録日2015-07-13
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms.
Acta Crystallogr.,Sect.D, 71, 2015
5AA3
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BU of 5aa3 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide
分子名称: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5A5X
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Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-06-23
公開日2016-10-12
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
6YA3
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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

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