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PDB: 243 results

6Q9N
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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
8BRE
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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
5OAU
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BU of 5oau by Molmil
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
Descriptor: Penicillin-binding protein 2X
Authors:Bernardo-Garcia, N, Hermoso, J.A.
Deposit date:2017-06-23
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
6Q70
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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
6Q71
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Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of Bis-Tris propane
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 (1.92 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
5IRP
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Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis
Descriptor: (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alanine racemase 2, ...
Authors:Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
5I8L
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BU of 5i8l by Molmil
Crystal structure of the full-length cell wall-binding module of Cpl7 mutant R223A
Descriptor: GLYCEROL, Lysozyme
Authors:Bernardo-Garcia, N, Silva-Martin, N, Uson, I, Hermoso, J.A.
Deposit date:2016-02-19
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan.
Sci Rep, 7, 2017
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
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Class I chitinase
Authors:Martinez-Caballero, C.S, Hermoso, J.A, Rodriguez-Romero, A.
Deposit date:2013-09-12
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
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)
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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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
4MST
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Crystal Structure of a putative catalytic domain of a chitinase-like protein (HbCLP1) from Hevea brasiliensis
Descriptor: CHLORIDE ION, class I chitinase
Authors:Martinez-Caballero, S, Hermoso, J.A, Rodriguez-Romero, A.
Deposit date:2013-09-18
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
5A5X
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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
7PL3
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Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7QVD
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BU of 7qvd by Molmil
X-ray structure of the lytic transglycosylase SltB2 from Pseudomonas aeruginosa
Descriptor: CALCIUM ION, Lytic murein transglycosylase
Authors:Batuecas, M.T, Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2022-01-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray structure of SltB2 from Pseudomonas aeruginosa
To Be Published
7QRL
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BU of 7qrl by Molmil
LytM domain of DipM, a coordinator of a complex net of autolysins in Caulobacter crescentus
Descriptor: DipM
Authors:Batuecas, M.T, Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2022-01-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:LytM domain of DipM, a coordinator of a complex net of autolysins in Caulobacter crescentus
Nat Commun, 2023
6YA3
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Crystal structure of PnrA from S. pneumoniae in complex with guanosine
Descriptor: GUANOSINE, Lipoprotein, NICKEL (II) ION
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-11
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YA4
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Crystal structure of PnrA from S. pneumoniae in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-11
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAB
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Crystal structure of PnrA from S. pneumoniae in complex with uridine
Descriptor: ACETATE ION, CACODYLATE ION, Lipoprotein, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-12
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6Y9U
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BU of 6y9u by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with adenosine
Descriptor: ACETATE ION, ADENOSINE, Lipoprotein, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-10
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAG
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BU of 6yag by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with thymidine
Descriptor: ACETATE ION, Lipoprotein, NICKEL (II) ION, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-12
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6Z4W
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BU of 6z4w by Molmil
FtsE structure from Streptococcus pneumoniae in complex with ADP (space group P 1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE
Authors:Alcorlo, M, Straume, D, Hermoso, J.A, Havarstein, L.S.
Deposit date:2020-05-26
Release date:2020-09-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
5G1M
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BU of 5g1m by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa
Descriptor: ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ...
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-03-28
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G2M
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Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-HEXOSAMINIDASE
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-04-09
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G3R
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Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc
Descriptor: 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ...
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-04-30
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G5K
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BU of 5g5k by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, BETA-HEXOSAMINIDASE
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-05-25
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017

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