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2X9P
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BU of 2x9p by Molmil
X-ray structure of the substrate-free cytochrome P450 PimD - a polyene macrolide antibiotic pimaricin epoxidase
分子名称: PIMD PROTEIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Kells, P.M, Ouellet, H, Santos-Aberturas, J, Aparicio, J.F, Podust, L.M.
登録日2010-03-23
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Cytochrome P450 Pimd Suggests Epoxidation of the Polyene Macrolide Pimaricin Occurs Via a Hydroperoxoferric Intermediate.
Chem.Biol., 17, 2010
2XBK
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BU of 2xbk by Molmil
X-ray structure of the substrate-bound cytochrome P450 PimD - a polyene macrolide antibiotic pimaricin epoxidase
分子名称: 4,5-DE-EPOXYPIMARICIN, PIMD PROTEIN, PROTOPORPHYRIN IX CONTAINING FE
著者Kells, P.M, Ouellet, H, Santos-Aberturas, J, Aparicio, J.F, Podust, L.M.
登録日2010-04-12
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Cytochrome P450 Pimd Suggests Epoxidation of the Polyene Macrolide Pimaricin Occurs Via a Hydroperoxoferric Intermediate.
Chem.Biol., 17, 2010
3ZBY
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BU of 3zby by Molmil
Ligand-free structure of CYP142 from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), P450 HEME-THIOLATE PROTEIN, ...
著者Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R.
登録日2012-11-13
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
3ZSN
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BU of 3zsn by Molmil
Structure of the mixed-function P450 MycG F286A mutant in complex with mycinamicin IV
分子名称: BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ...
著者Li, S, Kells, P.M, Rutaganira, F.U, Anzai, Y, Kato, F, Sherman, D.H, Podust, L.M.
登録日2011-06-29
公開日2012-05-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
4APY
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BU of 4apy by Molmil
Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ...
著者Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R.
登録日2012-04-09
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
4AW3
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BU of 4aw3 by Molmil
Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group
分子名称: GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ...
著者Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M.
登録日2012-05-30
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2YGX
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BU of 2ygx by Molmil
Structure of the mixed-function P450 MycG in P21 space group
分子名称: GLYCEROL, P-450-LIKE PROTEIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Li, S, Kells, P.M, Rutaganira, F.U, Sherman, D.H, Podust, L.M.
登録日2011-04-22
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2X5L
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BU of 2x5l by Molmil
X-RAY STRUCTURE OF THE SUBSTRATE-FREE MYCOBACTERIUM TUBERCULOSIS CYTOCHROME P450 CYP125, ALTERNATIVE CRYSTAL FORM
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125
著者Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M.
登録日2010-02-10
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
Bioorg.Med.Chem.Lett., 21, 2011
2WM4
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X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid
分子名称: (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R.
登録日2009-06-30
公開日2009-10-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2X5W
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X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with substrate cholest-4-en-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 1,2-ETHANEDIOL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ouellet, H, Guan, S, Johnston, J.B, Chow, E.D, Kells, P.M, Burlingame, A.L, Cox, J.S, Podust, L.M, Ortiz de Montellano, P.R.
登録日2010-02-10
公開日2010-06-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Mycobacterium Tuberculosis Cyp125A1, a Steroid C27 Monooxygenase that Detoxifies Intracellularly Generated Cholest-4-En-3-One.
Mol.Microbiol., 77, 2010
2XN8
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BU of 2xn8 by Molmil
X-RAY STRUCTURE OF THE SUBSTRATE-FREE MYCOBACTERIUM TUBERCULOSIS CYTOCHROME P450 CYP125
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125, SULFATE ION
著者Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M.
登録日2010-07-30
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
Bioorg.Med.Chem.Lett., 21, 2011
2YCA
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BU of 2yca by Molmil
Mixed-function P450 MycG in complex with mycinamicin III in P21212 space group
分子名称: GLYCEROL, MYCINAMICIN III, P-450-LIKE PROTEIN, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-03-12
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y98
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Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group
分子名称: CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-02-12
公開日2012-02-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y46
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Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group
分子名称: BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-01-05
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y5N
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BU of 2y5n by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group
分子名称: GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-01-15
公開日2012-02-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y5Z
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BU of 2y5z by Molmil
Mixed-function P450 MycG in complex with mycinamicin III in C2221 space group
分子名称: BENZAMIDINE, GLYCEROL, MYCINAMICIN III, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-01-19
公開日2012-02-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2WM5
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BU of 2wm5 by Molmil
X-ray structure of the substrate-free Mycobacterium tuberculosis cytochrome P450 CYP124
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 124
著者Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R.
登録日2009-06-30
公開日2009-10-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2XC3
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BU of 2xc3 by Molmil
X-ray structure of Mycobacterium tuberculosis cyp125 bound to the reverse type I inhibitor
分子名称: NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125
著者Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M.
登録日2010-04-16
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
Bioorg.Med.Chem.Lett., 21, 2011
2YOO
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BU of 2yoo by Molmil
Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ...
著者Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R.
登録日2012-10-25
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
3ZK5
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BU of 3zk5 by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group
分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-01-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
5UHU
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BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
分子名称: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Pochapsky, T.C, Tietz, D.R.
登録日2017-01-12
公開日2017-08-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017
4B7S
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BU of 4b7s by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group
分子名称: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Podust, L.M.
登録日2012-08-21
公開日2013-08-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
4CBQ
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BU of 4cbq by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with auranofin Au(I) bound to Cys286
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, ...
著者Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
登録日2013-10-16
公開日2014-11-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016
4CCQ
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BU of 4ccq by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with NADP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
登録日2013-10-24
公開日2014-11-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016
4CW9
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Entamoeba histolytica thiredoxin C34S mutant
分子名称: THIOREDOXIN
著者Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
登録日2014-04-01
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016

 

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