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1H5Z
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CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN FERRIC LOW-SPIN STATE
Descriptor: CYTOCHROME P450 51, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Arase, M, Waterman, M.R.
Deposit date:2001-05-31
Release date:2003-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Estriol Bound and Ligand-Free Structures of Sterol 14Alpha-Demethylase.
Structure, 12, 2004
3DBG
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BU of 3dbg by Molmil
Crystal structure of Cytochrome P450 170A1 (CYP170A1) from Streptomyces coelicolor
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
Authors:Zhao, B, Vassylyev, D.G, Waterman, M.R.
Deposit date:2008-05-31
Release date:2009-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site
J.Biol.Chem., 284, 2009
3EL3
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Distinct Monooxygenase and Farnesene Synthase Active Sites in Cytochrome P450 170A1
Descriptor: (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
Authors:Zhao, B, Waterman, M.R.
Deposit date:2008-09-19
Release date:2009-09-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site
J.Biol.Chem., 284, 2009
1CJE
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ADRENODOXIN FROM BOVINE
Descriptor: ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER
Authors:Pikuleva, I.A, Tesh, K, Waterman, M.R, Kim, Y.
Deposit date:1999-04-12
Release date:2000-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The tertiary structure of full-length bovine adrenodoxin suggests functional dimers.
Arch.Biochem.Biophys., 373, 2000
2NZA
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BU of 2nza by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
Descriptor: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhao, B, Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2NZ5
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Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
Descriptor: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
Authors:Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
3TZO
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BU of 3tzo by Molmil
The role of I87 of CYP158A2 in oxidative coupling reaction
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450, SPERMINE
Authors:Zhao, B, Waterman, M.R.
Deposit date:2011-09-27
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The role of Ile87 of CYP158A2 in oxidative coupling reaction.
Arch.Biochem.Biophys., 518, 2012
3TYW
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BU of 3tyw by Molmil
Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
Authors:Zhao, B, Waterman, M.R.
Deposit date:2011-09-26
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2)
To be Published
4G7G
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Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)]
Descriptor: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
Deposit date:2012-07-20
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
4G3J
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Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)]
Descriptor: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
Deposit date:2012-07-14
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
3P99
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BU of 3p99 by Molmil
Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol
Descriptor: (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z.
Deposit date:2010-10-16
Release date:2011-11-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
3QZ1
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BU of 3qz1 by Molmil
Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 21-hydroxylase
Authors:Zhao, B, Waterman, M.R.
Deposit date:2011-03-04
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
To be Published
1GWI
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BU of 1gwi by Molmil
The 1.92 A structure of Streptomyces coelicolor A3(2) CYP154C1: A new monooxygenase that functionalizes macrolide ring systems
Descriptor: CYTOCHROME P450 154C1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Podust, L.M, Kim, Y, Arase, M, Neely, B.A, Beck, B.J, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2002-03-15
Release date:2003-01-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The 1.92 A Structure of Streptomyces Coelicolor A3(2) Cyp154C1: A New Monooxygenase that Functionalizes Macrolide Ring Systems
J.Biol.Chem., 278, 2003
1E9X
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Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with 4-phenylimidazole
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Poulos, T.L, Waterman, M.R.
Deposit date:2000-10-30
Release date:2000-11-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
1EA1
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BU of 1ea1 by Molmil
Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Poulos, T.L, Waterman, M.R.
Deposit date:2000-11-02
Release date:2000-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
1T93
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Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
Descriptor: FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Zhao, B, Sundaramoorthy, M, Waterman, M.R.
Deposit date:2004-05-14
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1U13
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BU of 1u13 by Molmil
Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Yermalitskaya, L.V, Kim, Y, Waterman, M.R.
Deposit date:2004-07-14
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
To be published
1X8V
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Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)
Descriptor: Cytochrome P450 51, ESTRIOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Yermalitskaya, L.V, Lepesheva, G.I, Podust, V.N, Dalmasso, E.A, Waterman, M.R.
Deposit date:2004-08-18
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Estriol Bound and Ligand-free Structures of Sterol 14alpha-Demethylase.
Structure, 12, 2004
1ODO
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BU of 1odo by Molmil
1.85 A structure of CYP154A1 from Streptomyces coelicolor A3(2)
Descriptor: 4-PHENYL-1H-IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 154A1
Authors:Podust, L.M, Kim, Y, Arase, M, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2003-02-19
Release date:2004-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Comparison of the 1.85 A Structure of Cyp154A1 from Streptomyces Coelicolor A3(2) with the Closely Related Cyp154C1 and Cyps from Antibiotic Biosynthetic Pathways.
Protein Sci., 13, 2004
1S1F
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Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
Descriptor: 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ...
Authors:Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
Deposit date:2004-01-06
Release date:2005-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
1SE6
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Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ...
Authors:Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
Deposit date:2004-02-16
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
2D09
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A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2
Descriptor: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhao, B, Waterman, M.R.
Deposit date:2005-07-30
Release date:2005-10-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
3G1Q
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Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H.
Deposit date:2009-01-30
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3GW9
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Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide
Descriptor: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
Authors:Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-03-31
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3K1O
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Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
Descriptor: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-09-28
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010

 

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