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7ATD
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BU of 7atd by Molmil
Structure of inactive EstD11 S144A in complex with methyl-naproxen
Descriptor: ACETATE ION, EstD11 S144A, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-29
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AUY
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BU of 7auy by Molmil
Structure of EstD11 in complex with Fluorescein
Descriptor: EstD11, FLUORESCIN, FORMIC ACID
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-11-03
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7ATQ
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BU of 7atq by Molmil
Structure of EstD11 in complex with cyclohexane carboxylic acid
Descriptor: ACETATE ION, EstD11, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-30
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT2
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BU of 7at2 by Molmil
Crystal structure of inactive EstD11 S144A
Descriptor: EstD11 S144A
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
2IXV
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BU of 2ixv by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-GLUTAMINE, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-07-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
7AJZ
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BU of 7ajz by Molmil
The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide)
Descriptor: 1,2-ETHANEDIOL, L,D-transpeptidase YcbB, NAG-NAM(tetrapeptide), ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-09-29
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide)
To Be Published
7AGZ
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BU of 7agz by Molmil
BsrV no-histagged
Descriptor: Broad specificity amino-acid racemase, CHLORIDE ION, GLYCEROL, ...
Authors:Carrasco-Lopez, C, Rojas-Altuve, A, Espaillat, A, Cava, F, Hermoso, J.A.
Deposit date:2020-09-23
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity.
Comput Struct Biotechnol J, 19, 2021
7AJO
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BU of 7ajo by Molmil
The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate
Descriptor: (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-09-29
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate
To Be Published
7AJX
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BU of 7ajx by Molmil
The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem
Descriptor: (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-09-29
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem
To Be Published
7AJ9
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BU of 7aj9 by Molmil
The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, L,D-transpeptidase YcbB
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-09-28
Release date:2021-10-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae
To Be Published
7AZR
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BU of 7azr by Molmil
Crystal structure of the iron/manganese cambialistic superoxide dismutase from Rhodobacter capsulatus complex with Mn
Descriptor: CALCIUM ION, MANGANESE (II) ION, Superoxide dismutase [Fe]
Authors:Ponce-Salvatierra, A, Hermoso, J.A.
Deposit date:2020-11-17
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional characterization of the cambialistic superoxide dismutase from Rhodobacter capsulatus.
To be published
7AZQ
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BU of 7azq by Molmil
Crystal structure of the iron/manganese cambialistic superoxide dismutase from Rhodobacter capsulatus complex with Fe
Descriptor: CALCIUM ION, FE (III) ION, Superoxide dismutase [Fe]
Authors:Ponce-Salvatierra, A, Hermoso, J.A.
Deposit date:2020-11-17
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of the cambialistic superoxide dismutase from Rhodobacter capsulatus.
To be published
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)
Descriptor: 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, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-10-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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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BU of 2ixu by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-07-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8F
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BU of 2j8f by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a disaccharide- pentapeptide)
Descriptor: 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, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-10-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2YP6
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BU of 2yp6 by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with Cyclofos 3 TM
Descriptor: 3-Cyclohexyl-1-Propylphosphocholine, MALONATE ION, THIOREDOXIN FAMILY PROTEIN
Authors:Bartual, S.G, Shalek, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
Deposit date:2012-10-29
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.767 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL
Authors:Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
8A39
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BU of 8a39 by Molmil
Crystal Structure of PaaX from Escherichia coli W
Descriptor: DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ...
Authors:Molina, R, Alba-Perez, A, Hermoso, J.A.
Deposit date:2022-06-07
Release date:2023-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
8B58
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BU of 8b58 by Molmil
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Cyclosporin A
Descriptor: Cyclosporin A, Peptidyl-prolyl cis-trans isomerase
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-09-22
Release date:2023-02-01
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Basis for Cyclosporin Isoform-Specific Inhibition of Cyclophilins from Toxoplasma gondii .
Acs Infect Dis., 9, 2023
8BRE
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BU of 8bre by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)
Descriptor: Anhydro-N-acetylmuramic acid kinase, CHLORIDE ION
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-11-23
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
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
Descriptor: CARBON DIOXIDE, FERREDOXIN-NADP(H) REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors: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.
Deposit date:2004-12-23
Release date:2005-09-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Ferredoxin-Nadp(H) Reductase from Rhodobacter Capsulatus: Molecular Structure and Catalytic Mechanism
Biochemistry, 44, 2005
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
Descriptor: Hydrolyzed piperacillin, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.028 Å)
Cite: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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BU of 7o49 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.03 Å)
Cite: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
Descriptor: CHLORIDE ION, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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

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PDB entries from 2024-10-16

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