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6GI3
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BU of 6gi3 by Molmil
Structure of Lytic Transglycosylase MltE mutant S73A from E.coli
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-05-09
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
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
6GI4
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BU of 6gi4 by Molmil
Structure of Lytic Transglycosylase MltE mutant S75A from E.coli
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-05-09
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
Descriptor: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
Authors:Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
Deposit date:2018-07-25
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6HEE
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BU of 6hee by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with undecyl-maltoside
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsX, SULFATE ION, ...
Authors:Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A.
Deposit date:2018-08-20
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 2019
6HE6
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BU of 6he6 by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with dodecane-trimethylamine
Descriptor: Cell division protein FtsX, DODECANE-TRIMETHYLAMINE
Authors:Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A.
Deposit date:2018-08-20
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 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
Descriptor: 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
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I09
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BU of 6i09 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan obtained by soaking
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
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 (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
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 (2.85 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5T
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BU of 6r5t by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with lactose
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 (1.6 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5U
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BU of 6r5u by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in complex with laminaritriose
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose-(1-3)-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 (2.15 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
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
1W3A
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BU of 1w3a by Molmil
Three dimensional structure of a novel pore-forming lectin from the mushroom Laetiporus sulphureus
Descriptor: GLYCEROL, HEMOLYTIC LECTIN LSLA, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A.
Deposit date:2004-07-14
Release date:2005-02-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
J.Biol.Chem., 280, 2005
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
1W3G
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BU of 1w3g by Molmil
Hemolytic lectin from the mushroom Laetiporus sulphureus complexed with two N-acetyllactosamine molecules.
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 (2.68 Å)
Cite:Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
J.Biol.Chem., 280, 2005
1W52
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BU of 1w52 by Molmil
Crystal structure of a proteolyzed form of pancreatic lipase related protein 2 from horse
Descriptor: CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, PANCREATIC LIPASE RELATED PROTEIN 2
Authors:Mancheno, J.M, Jayne, S, Kerfelec, B, Chapus, C, Crenon, I, Hermoso, J.A.
Deposit date:2004-08-04
Release date:2006-07-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystalization of a Proteolyzed Form of the Horse Pancreatic Lipase-Related Protein 2: Structural Basis for the Specific Detergent Requirement.
Acta Crystallogr.,Sect.D, 60, 2004
6T98
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BU of 6t98 by Molmil
Trypanothione Reductase from Leishmania infantum in complex with 9a
Descriptor: 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, ...
Authors:Carriles, A.A, Hermoso, J.A.
Deposit date:2019-10-26
Release date:2020-11-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite: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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BU of 6t95 by Molmil
Trypanothione Reductase from Leismania infantum in complex with 4a
Descriptor: 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, ...
Authors:Carriles, A.A, Hermoso, J.A.
Deposit date:2019-10-25
Release date:2020-11-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
6T97
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BU of 6t97 by Molmil
Trypanothione Reductase from Leismania infantum in complex with TRL190
Descriptor: 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, ...
Authors:Carriles, A, Hermoso, J.A.
Deposit date:2019-10-26
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity
To Be Published
5A8A
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BU of 5a8a by Molmil
Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with FMN and ADP (P3 2 21)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M.
Deposit date:2015-07-13
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016

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数据于2024-06-05公开中

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