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6VBL
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Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-12-19
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6VBD
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BU of 6vbd by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by ceftriaxone
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Singh, A, Davies, C.
登録日2019-12-18
公開日2020-04-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6VBC
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BU of 6vbc by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-12-18
公開日2020-04-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6V6N
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BU of 6v6n by Molmil
The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
分子名称: Beta-lactamase, FORMIC ACID, GLYCEROL, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-05
公開日2019-12-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
To Be Published
6V1O
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BU of 6v1o by Molmil
Structure of OXA-48 bound to QPX7728 at 1.80 A
分子名称: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2019-11-20
公開日2020-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6UVK
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OXA-48 bound by inhibitor CDD-97
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G.
登録日2019-11-02
公開日2020-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
6UN3
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BU of 6un3 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ...
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6UN1
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Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin
分子名称: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6UE2
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BU of 6ue2 by Molmil
1.85 Angstrom Resolution Crystal Structure of Class D beta-lactamase from Clostridium difficile 630
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-09-20
公開日2019-12-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 Angstrom Resolution Crystal Structure of Class D beta-lactamase from Clostridium difficile 630.
To Be Published
6U58
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Toho1 Beta Lactamase Glu166Gln Mutant
分子名称: Beta-lactamase, SULFATE ION
著者Langan, P.S, Sullivan, B, Weiss, K.L.
登録日2019-08-27
公開日2020-02-19
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
主引用文献Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography
Acta Crystallogr.,Sect.D, 76, 2020
6TUD
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BU of 6tud by Molmil
Crystal structure of Y. pestis penicillin-binding protein 3
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2020-01-06
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of penicillin-binding protein 3 from Yersinia pestis
To Be Published
6TIX
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BU of 6tix by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
分子名称: 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
To Be Published
6TII
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BU of 6tii by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis
分子名称: BROMIDE ION, Peptidoglycan D,D-transpeptidase MrdA
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The structure of penicillin-binding protein 2 from Yersinia pestis
To Be Published
6T1H
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OXA-51-like beta-lactamase OXA-66
分子名称: Beta-lactamase OXA-66, ZINC ION
著者Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E.
登録日2019-10-04
公開日2020-10-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the OXA-51-like beta-lactamase OXA-66
To Be Published
6SYN
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BU of 6syn by Molmil
Crystal structure of Y. pestis penicillin-binding protein 3
分子名称: (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, Peptidoglycan D,D-transpeptidase FtsI
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2019-09-30
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献The structure of penicillin-binding protein 3 from Yersinia pestis
To Be Published
6SKR
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OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKQ
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BU of 6skq by Molmil
OXA-655_MEM. Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKP
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OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
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, Beta-lactamase, SODIUM ION, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6RTN
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BU of 6rtn by Molmil
Crystal structure of OXA-10 with VNRX-5133
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION
著者Brem, J, Schofield, C.
登録日2019-05-24
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
6RJ7
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BU of 6rj7 by Molmil
Crystal structure of the 19F labelled OXA-48
分子名称: Beta-lactamase, CALCIUM ION, CHLORIDE ION
著者Brem, J, Lohans, C, Schofield, C.
登録日2019-04-26
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73002231 Å)
主引用文献19F NMR Monitoring of Reversible Protein Post-Translational Modifications: Class D beta-Lactamase Carbamylation and Inhibition.
Chemistry, 25, 2019
6R42
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BU of 6r42 by Molmil
Structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Dowson, C.G.
登録日2019-03-21
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6R40
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Apo structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3)
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2019-03-21
公開日2020-02-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6R3X
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Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Dowson, C.G.
登録日2019-03-21
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6Q9N
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Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
分子名称: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
登録日2018-12-18
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6Q5F
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OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
分子名称: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ...
著者Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O.
登録日2018-12-08
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019

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