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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
6I7N
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BU of 6i7n by Molmil
Trypanothione Reductase from Leismania infantum in complex with TRL156
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Carriles, A.A, Hermoso, J.A.
Deposit date:2018-11-16
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.
Acs Infect Dis., 5, 2019
6GHY
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BU of 6ghy by Molmil
Structure of Lytic Transglycosylase MltE inactive mutant E64Q from E.coli
Descriptor: DI(HYDROXYETHYL)ETHER, Endo-type membrane-bound lytic murein transglycosylase A
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-05-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
1W3F
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BU of 1w3f by Molmil
Crystal structure of the hemolytic lectin from the mushroom Laetiporus sulphureus complexed with N-acetyllactosamine in the gamma motif
Descriptor: GLYCEROL, HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A.
Deposit date:2004-07-15
Release date:2005-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
J.Biol.Chem., 280, 2005
2BNK
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BU of 2bnk by Molmil
The structure of phage phi29 replication organizer protein p16.7
Descriptor: EARLY PROTEIN GP16.7
Authors:Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J.
Deposit date:2005-03-28
Release date:2005-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding.
J.Biol.Chem., 280, 2005
2BMV
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BU of 2bmv by Molmil
Apoflavodoxin from Helicobacter pylori
Descriptor: BENZAMIDINE, CHLORIDE ION, FLAVODOXIN
Authors:Martinez-Julvez, M, Hermoso, J.A, Sancho, J, Perez-Dorado, I, Cremades, N, Bueno, M.
Deposit date:2005-03-16
Release date:2006-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Common Conformational Changes in Flavodoxins Induced by Fmn and Anion Binding: The Structure of Helicobacter Pylori Apoflavodoxin.
Proteins, 69, 2007
2BJH
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BU of 2bjh by Molmil
Crystal Structure Of S133A AnFaeA-ferulic acid complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
Authors:Faulds, C.B, Molina, R, Gonzalez, R, Husband, F, Juge, N, Sanz-Aparicio, J, Hermoso, J.A.
Deposit date:2005-02-02
Release date:2005-09-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Probing the Determinants of Substrate Specificity of a Feruloyl Esterase, Anfaea, from Aspergillus Niger
FEBS J., 272, 2005
2C5R
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BU of 2c5r by Molmil
The structure of phage phi29 replication organizer protein p16.7 in complex with double stranded DNA
Descriptor: 5'-D(*CP*CP*GP*GP*TP*GP*GP*AP)-3', 5'-D(*TP*CP*CP*AP*CP*CP*GP*GP)-3', EARLY PROTEIN P16.7
Authors:Albert, A, Jimenez, M, Munoz-Espin, D, Asensio, J.L, Hermoso, J.A, Salas, M, Meijer, W.J.J.
Deposit date:2005-10-31
Release date:2005-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Membrane Anchorage of Viral Phi 29 DNA During Replication.
J.Biol.Chem., 280, 2005
2BSA
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BU of 2bsa by Molmil
Ferredoxin-Nadp Reductase (Mutation: Y 303 S) complexed with NADP
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Maya, C.M, Hermoso, J.A, Perez-Dorado, I, Tejero, J, Julvez, M.M, Gomez-Moreno, C, Medina, M.
Deposit date:2005-05-20
Release date:2005-10-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
2BMW
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BU of 2bmw by Molmil
Ferredoxin: NADP+ Reductase Mutant With Thr 155 Replaced By Gly, Ala 160 Replaced By Thr, Leu 263 Replaced By Pro, Arg 264 Replaced By Pro and Gly 265 Replaced by Pro (T155G-A160T-L263P-R264P-G265P)
Descriptor: FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Martinez-Julvez, M, Hermoso, J.A, Perez-Dorado, I, Medina, M, Tejero, J, Gomez-Moreno, C.
Deposit date:2005-03-16
Release date:2006-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase.
Biochemistry, 48, 2009
6Q9N
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BU of 6q9n by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
Descriptor: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-12-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
Deposit date:2018-12-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
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
Descriptor: Alanine racemase 2, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
Deposit date:2018-12-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
6R5R
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BU of 6r5r by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5N
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BU of 6r5n by Molmil
The crystal structure of Glycoside Hydrolase BglX from P. aeruginosa in complex with 1-deoxynojirimycin
Descriptor: 1-DEOXYNOJIRIMYCIN, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5O
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BU of 6r5o by Molmil
The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5I
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BU of 6r5i by Molmil
The crystal structure of the Glycoside Hydrolase BglX from P. aeruginosa
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, SULFATE ION
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-06-23
Release date:2016-10-12
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5A88
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BU of 5a88 by Molmil
Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M.
Deposit date:2015-07-13
Release date:2015-12-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms.
Acta Crystallogr.,Sect.D, 71, 2015

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數據於2024-06-26公開中

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