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PDB: 70 件
3DWZ
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BU of 3dwz by Molmil
Meropenem Covalent Adduct with TB Beta-lactamase
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S.
登録日2008-07-23
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Meropenem-clavulanate is effective against extensively drug-resistant Mycobacterium tuberculosis
Science, 323, 2009
4QHC
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BU of 4qhc by Molmil
Structure of M.Tuberculosis Betalactamase (Blac) with inhibitor having novel mechanism
分子名称: (3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2014-05-28
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Kinetic and Structural Characterization of the Interaction of 6-Methylidene Penem 2 with the beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 54, 2015
8BTW
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BU of 8btw by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-02
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8OE1
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BU of 8oe1 by Molmil
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5
分子名称: Beta-lactamase, GLYCEROL
著者Sun, J, Chikunova, A, Ubbink, M.
登録日2023-03-10
公開日2023-08-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
3NDG
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BU of 3ndg by Molmil
Crystal Structure of BlaC-E166A covalently bound with Methicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-06-07
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献BlaC-E166A covalently bound with cephalosporins and penicillins
To be Published
6B6E
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Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
4Q8I
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BU of 4q8i by Molmil
Crystal Structure of beta-lactamase from M.tuberculosis covalently complexed with Tebipenem
分子名称: (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2014-04-27
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Tebipenem, a new carbapenem antibiotic, is a slow substrate that inhibits the beta-lactamase from Mycobacterium tuberculosis.
Biochemistry, 53, 2014
8BTV
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BU of 8btv by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-02
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BV4
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BU of 8bv4 by Molmil
Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-01
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8R88
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BU of 8r88 by Molmil
Structure of P107T BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION
著者Chikunova, A, Ubbink, M.
登録日2023-11-28
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC.
Protein Sci., 33, 2024
3M6H
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BU of 3m6h by Molmil
Crystal Structure of Post-isomerized Ertapenem Covalent Adduct with TB B-lactamase
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W.
登録日2010-03-15
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
3N8S
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BU of 3n8s by Molmil
Crystal Structure of BlaC-E166A covalently bound with Cefamandole
分子名称: (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-05-28
公開日2010-11-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants.
Biochemistry, 49, 2010
3N6I
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BU of 3n6i by Molmil
Crystal Structure of BlaC-E166A covalently bound with 6-aminopenicillian
分子名称: (2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-05-25
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure Activity Relationship of BlaC with all classes of beta-lactams
To be Published
3NBL
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BU of 3nbl by Molmil
Crystal Structure of BlaC-E166A covalently bound with Cefuroxime
分子名称: (2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-06-03
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献BlaC-E166A covalently bound with cephalosporins and penicillins
To be Published
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
5OYO
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BU of 5oyo by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis
分子名称: ACETATE ION, Beta-lactamase, GLYCEROL, ...
著者Tassoni, R, Pannu, N.S.
登録日2017-09-11
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
4JLF
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BU of 4jlf by Molmil
Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase
分子名称: Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Kurz, S, Blanchard, J, Bonomo, R.
登録日2013-03-12
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations.
Antimicrob.Agents Chemother., 57, 2013
4EBL
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BU of 4ebl by Molmil
BlaC E166A Faropenem Acyl-Intermediate Complex
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Mire, J.A, TB Structural Genomics Consortium (TBSGC)
登録日2012-03-23
公開日2013-04-03
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
6B68
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Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
6B69
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Beta-Lactamase, 500ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
3IQA
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BU of 3iqa by Molmil
Crystal Structure of BlaC covalently bound with Doripenem
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2009-08-19
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
4EBP
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BU of 4ebp by Molmil
BlaC E166A Cefotaxime Acyl-Intermediate Complex
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Mire, J.A, TB Structural Genomics Consortium (TBSGC)
登録日2012-03-23
公開日2013-04-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2012-01-23
公開日2012-07-18
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012

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件を2024-07-31に公開中

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