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7KCV
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BU of 7kcv by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L)
分子名称: Penicillin-binding protein 4, ZINC ION
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
7K8L
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BU of 7k8l by Molmil
Beta-lactamase, Unmixed
分子名称: Beta-lactamase, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2020-09-27
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8000102 Å)
主引用文献Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
7K8K
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BU of 7k8k by Molmil
Beta-lactamase mixed with Sulbactam, 60ms
分子名称: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
著者Pandey, S, Schmidt, M.
登録日2020-09-27
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
7K8H
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BU of 7k8h by Molmil
Beta-lactamase mixed with Ceftriaxone, 50ms
分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2020-09-27
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.60006261 Å)
主引用文献Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
7K8F
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BU of 7k8f by Molmil
Beta-lactamase mixed with Ceftriaxone, 10ms
分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2020-09-26
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.60003138 Å)
主引用文献Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
7K8E
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BU of 7k8e by Molmil
Beta-lactamase mixed with Ceftriaxone, 5ms
分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2020-09-26
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.40005636 Å)
主引用文献Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
7K2Y
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BU of 7k2y by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
著者Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
登録日2020-09-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
7K2X
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BU of 7k2x by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase
分子名称: Beta-lactamase, GLYCEROL
著者Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
登録日2020-09-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
7K2W
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BU of 7k2w by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
登録日2020-09-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
7E9A
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BU of 7e9a by Molmil
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
分子名称: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-03-03
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
7DOO
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BU of 7doo by Molmil
Crystal Structure of PenA beta-Lactamase-Avibactam Complex
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Nukaga, M, Papp-Wallace, K.M, Bonomo, R.A.
登録日2020-12-15
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Overcoming an Extremely Drug Resistant (XDR) Pathogen: Avibactam Restores Susceptibility to Ceftazidime for Burkholderia cepacia Complex Isolates from Cystic Fibrosis Patients.
Acs Infect Dis., 3, 2017
7DDM
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BU of 7ddm by Molmil
Crystal Structure of PenA39 beta-Lactamase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ALA-ALA-ARG-ASP-ALA-ALA-VAL-SER-ASP-ALA-ALA-ALA, ...
著者Nukaga, M, Hoshino, T, Papp-Wallace, K.M.
登録日2020-10-29
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Frameshift mutations in genes encoding PBP3 and PBP4 trigger an unusual, extreme beta-lactam resistance phenotype in Burkholderia multivorans
To Be Published
7D5J
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BU of 7d5j by Molmil
CRYSTAL STRUCTURE OF R220A VARIANT PENA BETA-LACTAMASE FROM BURKHOLDERIA MULTIVORANS
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PenA Beta-lactamase
著者Nukaga, M, Hoshino, T, Papp-Wallace, K.M.
登録日2020-09-26
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Assessing the Potency of beta-Lactamase Inhibitors with Diverse Inactivation Mechanisms against the PenA1 Carbapenemase from Burkholderia multivorans .
Acs Infect Dis., 7, 2021
7CIN
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BU of 7cin by Molmil
Crystal structure of the extended-spectrum class C beta-lactamase AmpC BER with the ordered R2 loop
分子名称: Beta-lactamase, SULFATE ION
著者Jeong, B.G, Cha, S.S.
登録日2020-07-07
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79006362 Å)
主引用文献Crystal structure of AmpC BER and molecular docking lead to the discovery of broad inhibition activities of halisulfates against beta-lactamases.
Comput Struct Biotechnol J, 19, 2021
7BH7
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BU of 7bh7 by Molmil
Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24
分子名称: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH6
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BU of 7bh6 by Molmil
Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH5
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BU of 7bh5 by Molmil
XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico)
分子名称: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH4
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BU of 7bh4 by Molmil
XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico)
分子名称: Beta-lactamase, SULFATE ION
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH3
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BU of 7bh3 by Molmil
XFEL structure of CTX-M-15 resting state
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7ATL
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BU of 7atl by Molmil
EstCE1, a hydrolase with promiscuous acyltransferase activity
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ...
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-10-30
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.478 Å)
主引用文献Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A74
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BU of 7a74 by Molmil
Structure of G132N BlaC from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-27
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two beta-Lactamase Variants with Reduced Clavulanic Acid Inhibition Display Different Millisecond Dynamics.
Antimicrob.Agents Chemother., 65, 2021
7A72
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BU of 7a72 by Molmil
Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
分子名称: ACETATE ION, Beta-lactamase, GLYCEROL, ...
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-27
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
7A71
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BU of 7a71 by Molmil
Structure of G132S BlaC from Mycobacterium tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, GLYCEROL, ...
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-27
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
7A6Z
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BU of 7a6z by Molmil
Structure of P226G BlaC from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-27
公開日2021-10-06
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC.
Protein Sci., 33, 2024
7A61
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Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form)
分子名称: (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021

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件を2024-06-12に公開中

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