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7LXG
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BU of 7lxg by Molmil
Homocitrullinated beta-lactamase OXA-48
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Serrano-Negron, J.E, King, D.T, Vocadlo, D.J.
登録日2021-03-03
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemoproteomic identification of CO 2 -dependent lysine carboxylation in proteins.
Nat.Chem.Biol., 18, 2022
3UN7
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BU of 3un7 by Molmil
Crystal structure of PBPA from MYCOBACTERIUM TUBERCULOSIS
分子名称: Penicillin-binding protein A
著者Fedarovich, A, Davies, C.
登録日2011-11-15
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3UPP
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Structure of penicillin-binding protein A from M. tuberculosis: ceftrixaone acyl-enzyme complex
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Davies, C, Fedorovich, A.
登録日2011-11-18
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3UY6
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BU of 3uy6 by Molmil
BlaR1 sensor domain from Staphylococcus aureus with N439V mutation
分子名称: GLYCEROL, Regulatory protein BlaR1, SULFATE ION
著者Baker, B.M, Borbulevych, O.Y.
登録日2011-12-05
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An amino acid position at crossroads of evolution of protein function: antibiotic sensor domain of BlaR1 protein from Staphylococcus aureus versus clasS D beta-lactamases
J.Biol.Chem., 287, 2012
3UPN
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BU of 3upn by Molmil
Structure of penicillin-binding protein A from M. tuberculosis: 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-carbox ylic acid, Penicillin-binding protein A
著者Davies, C, Fedorovich, A.
登録日2011-11-18
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3UPO
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Structure of penicillin-binding protein A from M. tuberculosis: penicillin G acyl-enzyme complex
分子名称: OPEN FORM - PENICILLIN G, Penicillin-binding protein A
著者Davies, C, Fedorovich, A.
登録日2011-11-18
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3ZNT
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BU of 3znt by Molmil
Crystal structure of OXA-24 class D beta-lactamase with tazobactam
分子名称: BETA-LACTAMASE, SULFATE ION, TAZOBACTAM INTERMEDIATE
著者Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2013-02-18
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Oxa-24 Beta-Lactamase Inhibited by Tazobactam
To be Published
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
分子名称: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.50003886 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5E2F
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BU of 5e2f by Molmil
Crystal Structure of Beta-lactamase class D from Bacillus subtilis
分子名称: 1,2-ETHANEDIOL, Beta-lactamase YbxI, CALCIUM ION
著者Kim, Y, Joachimiak, G, Endres, M, Babnigg, G, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
登録日2015-10-01
公開日2015-10-14
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Beta-lactamase class D from Bacillus subtilis
To Be Published
8FAJ
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OXA-48-NA-1-157 inhibitor complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
著者Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B.
登録日2022-11-28
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases.
Acs Infect Dis., 9, 2023
5DTT
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BU of 5dtt by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 3
分子名称: 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.10000539 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
分子名称: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94015872 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
分子名称: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.60000241 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
8GPW
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BU of 8gpw by Molmil
Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G
分子名称: 1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Song, D.Q, Li, Y.H.
登録日2022-08-27
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G at 2.06 Angstroms resolution
To Be Published
5FDH
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BU of 5fdh by Molmil
CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B.
登録日2015-12-16
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity.
Microorganisms, 8, 2019
5FAQ
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OXA-48 in complex with FPI-1465
分子名称: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
著者King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
登録日2015-12-11
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAT
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BU of 5fat by Molmil
OXA-48 in complex with FPI-1602
分子名称: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
著者King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
登録日2015-12-12
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAS
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BU of 5fas by Molmil
OXA-48 in complex with FPI-1523
分子名称: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
著者King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
登録日2015-12-11
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FQ9
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BU of 5fq9 by Molmil
Crystal structure of the OXA10 with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ...
著者Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J.
登録日2015-12-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
分子名称: ACETATE ION, Beta-lactamase, CHLORIDE ION
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HFO
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BU of 5hfo by Molmil
CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
分子名称: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
著者Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B.
登録日2016-01-07
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Role of Arginine 214 in the Substrate Specificity of OXA-48.
Antimicrob.Agents Chemother., 64, 2020
5HAQ
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OXa-48 beta-lactamase mutant - S70G
分子名称: Beta-lactamase, CADMIUM ION, FORMIC ACID
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
7PEI
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Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PFN
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Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, Beta-lactamase, Imipenem, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023

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件を2024-06-05に公開中

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