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6ZI2
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BU of 6zi2 by Molmil
OleP-oleandolide(DEO) in low salt crystallization conditions
Descriptor: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
7ANT
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BU of 7ant by Molmil
Structure of CYP153A from Polaromonas sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, HEME C
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G.
Deposit date:2020-10-12
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
Descriptor: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
Deposit date:2020-10-13
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
7AYX
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BU of 7ayx by Molmil
Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998
Descriptor: Cytochrome P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Schneider, S, Schaefers, F, Gulder, T.A.M.
Deposit date:2020-11-13
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 AryC.
Chemistry, 28, 2022
4MGJ
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BU of 4mgj by Molmil
Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L.
Deposit date:2013-08-28
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
4RSN
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BU of 4rsn by Molmil
Crystal structure of the E267V mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhou, W.H, Zhang, A.L, Zhang, T, Ren, X.K, Yorke, J.A, Taylor, A, Wong, L.-L.
Deposit date:2014-11-09
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Expanding the drug metabolism function of P450BM3
To be Published
4LXJ
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BU of 4lxj by Molmil
Saccharomyces cerevisiae lanosterol 14-alpha demethylase with lanosterol bound
Descriptor: LANOSTEROL, Lanosterol 14-alpha demethylase, OXYGEN MOLECULE, ...
Authors:Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, McDonald, J, Rodriguez, A, Finer-Moore, J, Stroud, R.M.
Deposit date:2013-07-29
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TPO
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BU of 4tpo by Molmil
High-resolution structure of TxtE with bound tryptophan substrate
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.225 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4TT5
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BU of 4tt5 by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
Descriptor: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
Authors:Madrona, Y.
Deposit date:2014-06-19
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:NMR and X-ray Analysis of CYP119 ligand-dependent conformational changes
To Be Published
4TPN
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BU of 4tpn by Molmil
High-resolution structure of TxtE in the absence of substrate
Descriptor: GLYCEROL, LITHIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
Descriptor: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-03
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Descriptor: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-06
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RM4
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BU of 4rm4 by Molmil
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G.
Deposit date:2014-10-18
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2014-11-19
Release date:2015-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4MM0
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BU of 4mm0 by Molmil
Crystal Structure Analysis of the Putative Thioether Synthase SgvP Involved in the Tailoring Step of Griseoviridin
Descriptor: P450-like monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhang, H, Huang, L, Yi, M, Cai, T, Zhang, H.
Deposit date:2013-09-07
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of SgvP: a Putative Thioether Synthase Involved in the Tailoring Step of Griseoviridin
To be Published
4TRI
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BU of 4tri by Molmil
X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, GLYCEROL, P450 heme-thiolate protein, ...
Authors:Madrona, Y, Ortiz de Montellano, P.
Deposit date:2014-06-17
Release date:2014-09-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
4UAX
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BU of 4uax by Molmil
X-ray crystal structure of ligand free CYP142A2 from Mycobacterium smegmatis
Descriptor: P450 heme-thiolate protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Madrona, Y.
Deposit date:2014-08-11
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
4TUV
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BU of 4tuv by Molmil
X-ray crystal structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 119, PROTOPORPHYRIN IX CONTAINING FE
Authors:Madrona, Y.
Deposit date:2014-06-24
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:NMR and X-ray Analysis of CYP119 Ligand Dependent Conformational Changes.
To Be Published
4TVF
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BU of 4tvf by Molmil
OxyB from Actinoplanes teichomyceticus
Descriptor: OxyB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Haslinger, K, Cryle, M.J.
Deposit date:2014-06-26
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
4UBS
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BU of 4ubs by Molmil
The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2014-08-13
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase.
Appl.Microbiol.Biotechnol., 99, 2015
4UHI
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BU of 4uhi by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
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, I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4UHL
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BU of 4uhl by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP
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, I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4UMZ
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BU of 4umz by Molmil
PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group
Descriptor: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Vieira, D.F.
Deposit date:2014-05-22
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Recognition of Synthetic Substrates by P450 Pikc
To be Published
4NKX
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BU of 4nkx by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone
Descriptor: PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKY
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BU of 4nky by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxyprogesterone
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014

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數據於2024-05-29公開中

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