5VCE
 
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5JKW
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5JLC
 | | Structure of CYP51 from the pathogen Candida glabrata | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2016-04-26 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
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5VEU
 | | Human Cytochrome P450 3A5 (CYP3A5) | | Descriptor: | Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | | Authors: | Hsu, M.-H, Johnson, E.F. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018
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6OOB
 | | Human CYP3A4 bound to a suicide substrate | | Descriptor: | 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin.
Int J Mol Sci, 20, 2019
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5VWS
 | | Ligand free structure of Cytochrome P450 TbtJ1 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | | Deposit date: | 2017-05-22 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.411 Å) | | Cite: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides.
ACS Chem. Biol., 12, 2017
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5W0C
 | | Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | | Descriptor: | Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Johnson, E.F, Hsu, M.-H. | | Deposit date: | 2017-05-30 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5WP2
 | | 1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... | | Authors: | Fielding, A, Dornevil, K, Liu, A. | | Deposit date: | 2017-08-03 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
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5WBG
 | | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2017-06-29 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
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5WK9
 | | R186AP450cam with CN and camphor | | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | | Authors: | Poulos, T.L, Batabyal, D. | | Deposit date: | 2017-07-24 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
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5WK7
 | | P450cam mutant R186A | | Descriptor: | 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Batabyal, D, Poulos, T.L. | | Deposit date: | 2017-07-24 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
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1LGF
 | | 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
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1LG9
 | | 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
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1LFK
 | | 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
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1LWL
 | | 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
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1MPW
 | | 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: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Molecular recognition in (+)-alpha-pinene oxidation by cytochrome P450cam
J.Am.Chem.Soc., 125, 2003
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1N4G
 | | 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
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1N40
 | | 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
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1N6B
 | | 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
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1N97
 | | 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
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1NR6
 | | 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
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1ODO
 | | 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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1NOO
 | | CYTOCHROME P450-CAM COMPLEXED WITH 5-EXO-HYDROXYCAMPHOR | | Descriptor: | 5-EXO-HYDROXYCAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, H.Y, Poulos, T.L. | | Deposit date: | 1995-12-02 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Cytochrome P450-Cam Complexed with its Catalytic Product, 5-Exo-Hydroxycamphor
J.Am.Chem.Soc., 117, 1995
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1O76
 | | 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
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1OG5
 | | Structure of human cytochrome P450 CYP2C9 | | Descriptor: | CYTOCHROME P450 2C9, HEME C, S-WARFARIN | | Authors: | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | | Deposit date: | 2003-04-24 | | Release date: | 2003-07-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
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