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5UAP
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Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide
Descriptor: (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2016-12-19
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
5U6T
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The crystal structure of 4-ethoxybenzoate-bound CYP199A4
Descriptor: 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5TZ1
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BU of 5tz1 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1)
Descriptor: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
Authors:Hargrove, T, Wawrzak, Z, Lepesheva, G.
Deposit date:2016-11-21
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
4NKW
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BU of 4nkw by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
Descriptor: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.P.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NY4
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BU of 4ny4 by Molmil
Crystal structure of CYP3A4 in complex with an inhibitor
Descriptor: (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Branden, G, Sjogren, T, Xue, Y.
Deposit date:2013-12-10
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
4OQS
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BU of 4oqs by Molmil
Crystal structure of CYP105AS1
Descriptor: CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
1N4G
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BU of 1n4g by Molmil
Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole
Descriptor: 4-IODOPYRAZOLE, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-31
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
1N40
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BU of 1n40 by Molmil
Atomic structure of CYP121, a mycobacterial P450
Descriptor: Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
4O4P
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BU of 4o4p by Molmil
Structure of P450 BM3 A82F F87V in complex with S-omeprazol
Descriptor: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2013-12-19
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3.
Biochem.J., 460, 2014
1LGF
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BU of 1lgf by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-15
Release date:2002-12-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
1LG9
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BU of 1lg9 by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-15
Release date:2002-12-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
4NKZ
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BU of 4nkz by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone
Descriptor: (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, 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 (3.003 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
1N97
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BU of 1n97 by Molmil
Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27
Descriptor: 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L.
Deposit date:2002-11-22
Release date:2003-02-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus
J.Biol.Chem., 278, 2003
4NZ2
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BU of 4nz2 by Molmil
Crystal structure of CYP2C9 in complex with an inhibitor
Descriptor: (2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, Cytochrome P450 2C9, GLYCEROL, ...
Authors:Branden, G, Sjogren, T, Xue, Y.
Deposit date:2013-12-11
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
4NKV
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BU of 4nkv by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
Descriptor: Abiraterone, 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 (2.646 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
1LFK
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BU of 1lfk by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-11
Release date:2002-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
1N6B
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BU of 1n6b by Molmil
Microsomal Cytochrome P450 2C5/3LVdH Complex with a dimethyl derivative of sulfaphenazole
Descriptor: 4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE, Cytochrome P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wester, M.R, Johnson, E.F, Marques-Soares, C, Dansette, P.M, Mansuy, D, Stout, C.D.
Deposit date:2002-11-09
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a Substrate Complex of Mammalian Cytochrome P450 2C5 at 2.3 A Resolution: Evidence for Multiple Substrate Binding Modes
Biochemistry, 42, 2003
4NKX
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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
1LWL
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BU of 1lwl by Molmil
Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide)
Descriptor: ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B.
Deposit date:2002-05-31
Release date:2002-12-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening
J.AM.CHEM.SOC., 124, 2002
1NR6
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BU of 1nr6 by Molmil
MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wester, M.R, Johnson, E.F, Stout, C.D.
Deposit date:2003-01-23
Release date:2003-08-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding
Biochemistry, 42, 2003
1MPW
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BU of 1mpw by Molmil
Molecular Recognition in (+)-a-Pinene Oxidation by Cytochrome P450cam
Descriptor: (+)-alpha-Pinene, CYTOCHROME P450CAM, POTASSIUM ION, ...
Authors:Bell, S.G, Chen, X, Sowden, R.J, Xu, F, Willams, J.N, Wong, L.-L, Rao, Z.
Deposit date:2002-09-13
Release date:2002-10-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Molecular recognition in (+)-alpha-pinene oxidation by cytochrome P450cam
J.Am.Chem.Soc., 125, 2003
4OQR
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Structure of a CYP105AS1 mutant in complex with compactin
Descriptor: CYP105AS1, Mevastatin, Compactin, ...
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
1O76
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BU of 1o76 by Molmil
CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ...
Authors:Fedorov, R, Ghosh, D, Schlichting, I.
Deposit date:2002-10-23
Release date:2002-12-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes
Arch.Biochem.Biophys., 409, 2003
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

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