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PDB: 76 件

4P61
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CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
分子名称: Triosephosphate isomerase
著者Pegan, S.D, Mesecar, A.D.
登録日2014-03-21
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
2QX9
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Crystal Structure of Quinone Reductase II
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
登録日2007-08-10
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QTM
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Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
分子名称: COBALT (II) ION, GLYCEROL, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
著者Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
登録日2007-08-02
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
2QIO
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X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
分子名称: Enoyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Klein, G.M, Santarsiero, B.D, Mesecar, A.D.
登録日2007-07-05
公開日2008-07-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
Chemmedchem, 3, 2008
2QX6
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Crystal Structure of Quinone Reductase II
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
登録日2007-08-10
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QWX
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Crystal Structure of Quinone Reductase II
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
登録日2007-08-10
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QX4
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Crystal Structure of Quinone Reductase II
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
登録日2007-08-10
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QTN
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Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
分子名称: GLYCEROL, MAGNESIUM ION, NICOTINATE MONONUCLEOTIDE, ...
著者Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
登録日2007-08-02
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
2QX8
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Crystal Structure of Quinone Reductase II
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
登録日2007-08-10
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QTR
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Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
分子名称: NICOTINIC ACID ADENINE DINUCLEOTIDE, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION
著者Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
登録日2007-08-02
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
3NFR
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Casimiroin analog inhibitor of quinone reductase 2
分子名称: 6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sturdy, M, Mesecar, A.D, Jermihov, K, Cushman, M, Maiti, A.
登録日2010-06-10
公開日2012-01-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3OX2
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X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Mesecar, A.D.
登録日2010-09-21
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OWX
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X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
登録日2010-09-20
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OX1
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X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
登録日2010-09-21
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OWH
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X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
著者Pegan, S.D, Sturdy, M, Mesecar, A.D.
登録日2010-09-18
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OX3
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X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
登録日2010-09-21
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3NBA
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Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP)
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
著者Wubben, T.J, Mesecar, A.D.
登録日2010-06-03
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.
J.Mol.Biol., 404, 2010
3PNB
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Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with coenzyme A
分子名称: COENZYME A, Phosphopantetheine adenylyltransferase
著者Wubben, T.J, Mesecar, A.D.
登録日2010-11-18
公開日2011-06-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure of Mycobacterium tuberculosisphosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation.
Acta Crystallogr.,Sect.F, 67, 2011
3EKZ
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Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SN-GLYCEROL-3-PHOSPHATE, ...
著者Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
登録日2008-09-19
公開日2009-02-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3EJ3
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Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
分子名称: ACETATE ION, Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, ...
著者Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
登録日2008-09-17
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EJ7
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Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
分子名称: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, SULFATE ION
著者Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
登録日2008-09-17
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3ELF
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Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
分子名称: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
登録日2008-09-22
公開日2009-02-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3EJ9
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Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
分子名称: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase
著者Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
登録日2008-09-17
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EKL
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Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
登録日2008-09-19
公開日2009-02-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3G5M
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Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity
分子名称: 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Maiti, A, Sturdy, M, Marler, L, Pegan, S.D, Mesecar, A.D, Pezzuto, J.M, Cushman, M.
登録日2009-02-05
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities.
J.Med.Chem., 52, 2009

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件を2024-06-19に公開中

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