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3NC8
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BU of 3nc8 by Molmil
Crystal Structure of BlaC-E166A covalently bound 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, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-06-04
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BlaC-E166A covalently bound with cephalosporins and penicillins
To be Published
3NY4
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BU of 3ny4 by Molmil
Crystal Structure of BlaC-K73A bound with Cefamandole
分子名称: (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-07-14
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.22 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
3N8R
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BU of 3n8r by Molmil
Crystal Structure of BlaC-E166A covalently bound with Carbenicillin
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, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-05-28
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献BlaC-E166A bound with beta-lactams from all classes
To be Published
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
3N8L
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BU of 3n8l by Molmil
Crystal Structure of BlaC-E166A covalently bound with 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, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-05-28
公開日2011-12-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of BlaC-E166A covalently bound to beta-lactams from all classes.
To be Published
3NDE
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BU of 3nde by Molmil
Crystal Structure of BlaC-E166A covalently bound with Cephalotin
分子名称: (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-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2010-06-07
公開日2011-12-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献BlaC-E166A covalently bound with cephalosporins and penicillins
To be Published
3NCK
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BU of 3nck by Molmil
Crystal Structure of BlaC-E166A covalently bound with Nafcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-06-04
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献BlaC-E166A covalently bound with cephalosporins and penicillins
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
3N7W
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BU of 3n7w by Molmil
Crystal Structure of BlaC-E166A covalently bound with Amoxicillin
分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-05-27
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献BlaC-E166A Bound with btea-lactams of all classes
To be Published
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
1ENY
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BU of 1eny by Molmil
CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS
分子名称: ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Dessen, A, Quemard, A, Blanchard, J.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1995-01-27
公開日1996-01-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis.
Science, 267, 1995
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
1ENZ
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BU of 1enz by Molmil
CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS
分子名称: ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Dessen, A, Quemard, A, Blanchard, J.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1995-01-27
公開日1996-01-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis.
Science, 267, 1995
1BWZ
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BU of 1bwz by Molmil
DIAMINOPIMELATE EPIMERASE FROM HEMOPHILUS INFLUENZAE
分子名称: PROTEIN (DIAMINOPIMELATE EPIMERASE)
著者Cirilli, M, Zheng, R, Scapin, G, Blanchard, J.S.
登録日1998-09-29
公開日1998-12-16
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural symmetry: the three-dimensional structure of Haemophilus influenzae diaminopimelate epimerase.
Biochemistry, 37, 1998
1C3V
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BU of 1c3v by Molmil
DIHYDRODIPICOLINATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND PDC
分子名称: DIHYDRODIPICOLINATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYRIDINE-2,6-DICARBOXYLIC ACID, ...
著者Cirilli, M, Zheng, R, Scapin, G, Blanchard, J.S, TB Structural Genomics Consortium (TBSGC)
登録日1999-07-28
公開日2003-08-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献The three-dimensional structures of the Mycobacterium tuberculosis dihydrodipicolinate reductase-NADH-2,6-PDC and -NADPH-2,6-PDC complexes. Structural and mutagenic analysis of relaxed nucleotide specificity
Biochemistry, 42, 2003
4HCX
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BU of 4hcx by Molmil
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
6OVT
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BU of 6ovt by Molmil
Crystal Structure of IlvD from Mycobacterium tuberculosis
分子名称: DI(HYDROXYETHYL)ETHER, Dihydroxy-acid dehydratase, FE2/S2 (INORGANIC) CLUSTER, ...
著者Almo, S.C, Grove, T.L, Bonanno, J.B, Baker, E.N, Bashiri, G.
登録日2019-05-08
公開日2019-08-07
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The active site of theMycobacterium tuberculosisbranched-chain amino acid biosynthesis enzyme dihydroxyacid dehydratase contains a 2Fe-2S cluster.
J.Biol.Chem., 294, 2019
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
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
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
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
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
1BW9
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BU of 1bw9 by Molmil
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
分子名称: 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ...
著者Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M.
登録日1998-10-01
公開日1999-05-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism.
Biochemistry, 38, 1999
1BXG
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BU of 1bxg by Molmil
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE
分子名称: HYDROCINNAMIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHENYLALANINE DEHYDROGENASE, ...
著者Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M.
登録日1998-10-02
公開日1999-05-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism.
Biochemistry, 38, 1999
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

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