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PDB: 24 件
4X6T
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M.tuberculosis betalactamase complexed with inhibitor EC19
分子名称: 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION
著者Hazra, S.
登録日2014-12-09
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).
ACS Infect Dis, 1, 2015
3HP1
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Crystal structure of human dCK R104M/D133A in complex with L-dT and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, L-deoxythymidine
著者Hazra, S, Lavie, A.
登録日2009-06-03
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Extending Thymidine Kinase Activity to the Catalytic Repertoire of Human Deoxycytidine Kinase.
Biochemistry, 48, 2009
4JLF
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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
4QHC
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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
4M0D
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Crystal structure of MurQ from H.influenzae in apo form
分子名称: N-acetylmuramic acid 6-phosphate etherase
著者Hazra, S, Blanchard, J.
登録日2013-08-01
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.577 Å)
主引用文献Structure of MurNAc 6-phosphate hydrolase (MurQ) from Haemophilus influenzae with a bound inhibitor.
Biochemistry, 52, 2013
4LZJ
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Crystal Structure of MurQ from H.influenzae with bound inhibitor
分子名称: 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol, N-acetylmuramic acid 6-phosphate etherase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2013-07-31
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Structure of MurNAc 6-phosphate hydrolase (MurQ) from Haemophilus influenzae with a bound inhibitor.
Biochemistry, 52, 2013
4Q8I
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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
4QB8
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Crystal Structure of beta-lactamase from M.tuberculosis forming Michaelis Menten with Tebipenem
分子名称: Beta-lactamase, PHOSPHATE ION, TEBIPENEM
著者Hazra, S, Blanchard, J.
登録日2014-05-06
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.758 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
4DF6
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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
3KFX
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Human dCK complex with 5-Me dC and ADP
分子名称: 5-METHYL-2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase
著者Hazra, S, Lavie, A.
登録日2009-10-28
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and kinetic characterization of human deoxycytidine kinase variants able to phosphorylate 5-substituted deoxycytidine and thymidine analogues .
Biochemistry, 49, 2010
3QEJ
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S74E-dCK mutant in complex with UDP
分子名称: Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Hazra, S, Lavie, A.
登録日2011-01-20
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Post-translational phosphorylation of serine 74 of human deoxycytidine kinase favors the enzyme adopting the open conformation making it competent for nucleoside binding and release.
Biochemistry, 50, 2011
4HCX
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Structure of ICDH-1 from M.tuberculosis complexed with NADPH & Mn2+
分子名称: CHLORIDE ION, Isocitrate dehydrogenase [NADP], MANGANESE (II) ION, ...
著者Hazra, S, Blanchard, J.
登録日2012-10-01
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural, Kinetic and Chemical Mechanism of Isocitrate Dehydrogenase-1 from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
3MJR
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Human dCK complex with Acyclic Nucleoside
分子名称: 9-HYROXYETHOXYMETHYLGUANINE, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Hazra, S, Lavie, A.
登録日2010-04-13
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Sugar Ring of the Nucleoside Is Required for Productive Substrate Positioning in the Active Site of Human Deoxycytidine Kinase (dCK): Implications for the Development of dCK-Activated Acyclic Guanine Analogues.
J.Med.Chem., 53, 2010
8J6Y
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Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
分子名称: Beta-lactamase PSE-4, SULFATE ION
著者Sarkar, M, Bhattacharya, S, Hazra, S.
登録日2023-04-26
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
To be published
8IX8
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Crystal structure of Class A beta-lactamase BlaA WT - complex 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Bhattacharya, S, Hazra, S.
登録日2023-03-31
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem
To be published
8IXX
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Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem
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, PHOSPHATE ION
著者Bhattacharya, S, Hazra, S.
登録日2023-04-03
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem
To be published
8IWV
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Crystal structure of BlaA-1 APO
分子名称: Beta-lactamase, PHOSPHATE ION
著者Bhattacharya, S, Hazra, S.
登録日2023-03-31
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of BlaA-1 APO
To be published
8IY4
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Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
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, PHOSPHATE ION
著者Bhattacharya, S, Hazra, S.
登録日2023-04-03
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
To be published
3QEN
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S74E dCK in complex with 5-bromodeoxycytidine and UDP
分子名称: 5-bromo-2'-deoxycytidine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Lavie, A, Hazra, S.
登録日2011-01-20
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Post-translational phosphorylation of serine 74 of human deoxycytidine kinase favors the enzyme adopting the open conformation making it competent for nucleoside binding and release.
Biochemistry, 50, 2011
3QEO
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S74E-R104M-D133A dCK variant in complex with L-deoxythymidine and UDP
分子名称: Deoxycytidine kinase, L-deoxythymidine, URIDINE-5'-DIPHOSPHATE
著者Lavie, A, Hazra, S.
登録日2011-01-20
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Post-translational phosphorylation of serine 74 of human deoxycytidine kinase favors the enzyme adopting the open conformation making it competent for nucleoside binding and release.
Biochemistry, 50, 2011
2NO6
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C4S dCK variant of dCK in complex with FTC+ADP
分子名称: 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2NO7
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C4S dCK variant of dCK in complex with L-dC+ADP
分子名称: 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2NO0
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C4S dCK variant of dCK in complex with gemcitabine+ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2NO1
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C4S dCK variant of dCK in complex with D-dC+ADP
分子名称: 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007

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