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5M18
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BU of 5m18 by Molmil
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
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
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
7LAM
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BU of 7lam by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2021-01-06
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LAQ
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Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2021-01-06
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
3NIA
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GES-2 carbapenemase tazobactam complex
分子名称: (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine, Beta-lactamase GES-2, TAZOBACTAM INTERMEDIATE
著者Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B.
登録日2010-06-15
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition of the GES-2 beta-Lactamse by Tazobactam: Detection of Reaction Intermediates by UV and Mass Spectrometry and X-Ray Crystallography
To be Published
2V04
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BU of 2v04 by Molmil
CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE
分子名称: CHOLINE BINDING PROTEIN F, CHOLINE ION
著者Hermoso, J, Molina, R, Kahn, R, Stelter, M.
登録日2007-05-08
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae.
Embo Rep., 10, 2009
3I1U
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Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator
分子名称: (2S,3R)-2-benzyl-3-sulfanylbutanoic acid, Carboxypeptidase A1 (Pancreatic), GLYCEROL, ...
著者Fernandez, D.
登録日2009-06-28
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor
Chem.Biol.Drug Des., 75, 2010
7PL5
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Crystal structure of choline-binding module (R1-R9) of LytB from Streptococcus pneumoniae
分子名称: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase, TRIETHYLENE GLYCOL, ...
著者Molina, R, Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL2
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Crystal structure of choline-binding module of LytB from Streptococcus pneumoniae
分子名称: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ3
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Crystal structure of catalytic domain in open conformation of LytB from Streptococcus pneumoniae
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ4
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Crystal structure of catalytic domain in closed conformation of LytB (E585Q)from Streptococcus pneumoniae
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ5
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Crystal structure of catalytic domain of LytB from Streptococcus pneumoniae in complex with NAG-NAG-NAG-NAG tetrasaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ6
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BU of 7pj6 by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
分子名称: 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)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7POD
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BU of 7pod by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM tetrasaccharide
分子名称: 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, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-09-08
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL3
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BU of 7pl3 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
分子名称: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-12-21
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
4GOG
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BU of 4gog by Molmil
Crystal structure of the GES-1 imipenem acyl-enzyme complex
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ...
著者Smith, C.A, Vakulenko, S.B, Munoz, J.
登録日2012-08-20
公開日2013-07-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4GNU
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BU of 4gnu by Molmil
Crystal structure of GES-5 carbapenemase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5
著者Smith, C.A, Vakulenko, S.B.
登録日2012-08-17
公開日2013-07-24
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4H8R
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BU of 4h8r by Molmil
Imipenem complex of GES-5 carbapenemase
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2012-09-23
公開日2013-07-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4IWT
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BU of 4iwt by Molmil
Crystal structure of the C-teminal choline-binding domain of the Streptococcus pneumoniae prophage LytA
分子名称: CHOLINE ION, Lytic amidase
著者Sandalova, T, Mellroth, P, Achour, A.
登録日2013-01-24
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
MBio, 5, 2014
4IVV
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BU of 4ivv by Molmil
Catalytic amidase domain of the major autolysin LytA from Streptococcus pneumaniae
分子名称: 1,2-ETHANEDIOL, Autolysin, ZINC ION
著者Sandalova, T, Achour, A.
登録日2013-01-23
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
MBio, 5, 2014
3ZG5
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BU of 3zg5 by Molmil
Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric
分子名称: CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-14
公開日2013-10-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
1CK3
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BU of 1ck3 by Molmil
N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE
分子名称: BETA-LACTAMASE
著者Swaren, P, Maveyraud, L, Samama, J.P.
登録日1999-04-27
公開日1999-08-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献X-ray structure of the Asn276Asp variant of the Escherichia coli TEM-1 beta-lactamase: direct observation of electrostatic modulation in resistance to inactivation by clavulanic acid.
Biochemistry, 38, 1999
5OHU
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The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa
分子名称: PHOSPHATE ION, Soluble lytic murein transglycosylase
著者Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
登録日2017-07-18
公開日2018-04-18
最終更新日2018-05-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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