PDB: 1376 resultsInfo pagesStatus searchChemie searchBIRD

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2IJ7	Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE Authors: Roujeinikova, A, Leys, D. Deposit date: 2006-09-29 Release date: 2006-11-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode. J.Biol.Chem., 281, 2006
2IJ2	Atomic structure of the heme domain of flavocytochrome P450-BM3 Descriptor: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE Authors: Helen, H.S, Leys, D. Deposit date: 2006-09-29 Release date: 2006-11-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
5IRV	Human cytochrome P450 17A1 bound to inhibitor VT-464 Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 Authors: Scott, E.E, Petrunak, E.M. Deposit date: 2016-03-14 Release date: 2017-03-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.098 Å) Cite: Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
5IBE	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.624 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBI	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
2FRZ	Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F/V247L/C334A) Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Rao, Z, Wong, L.L, Xu, F, Bell, S.G. Deposit date: 2006-01-20 Release date: 2007-01-16 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Pentachlorobenzene oxidation by engineered cytochrome P450cam: Substrate binding and the mechanism of aromatic C-H bond oxidation To be Published
5IBD	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
2J1M	P450 BM3 Heme domain in complex with DMSO Descriptor: CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. Deposit date: 2006-08-14 Release date: 2007-05-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3. J.Am.Chem.Soc., 129, 2007
2J0D	Crystal structure of human P450 3A4 in complex with erythromycin Descriptor: CYTOCHROME P450 3A4, ERYTHROMYCIN A, PROTOPORPHYRIN IX CONTAINING FE Authors: Sjogren, T, Ekroos, M. Deposit date: 2006-08-02 Release date: 2006-09-04 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4 Proc.Natl.Acad.Sci.USA, 103, 2006
2H7S	L244A mutant of Cytochrome P450cam Descriptor: Cytochrome P450-cam, HEME C Authors: Verras, A, Alian, A, Montellano, P.R. Deposit date: 2006-06-02 Release date: 2006-10-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation. Protein Eng.Des.Sel., 19, 2006
5IRQ	Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel Descriptor: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Scott, E.E, Petrunak, E.M. Deposit date: 2016-03-14 Release date: 2017-03-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.202 Å) Cite: Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
5IUZ	STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Jang, H.-H, Halpert, J.R, Shah, M.B. Deposit date: 2016-03-18 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
2J4S	P450 BM3 heme domain in complex with DMSO Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. Deposit date: 2006-09-05 Release date: 2007-05-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3. J.Am.Chem.Soc., 129, 2007
8JC4	Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine Descriptor: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... Authors: Jiang, Y, Dong, S, Feng, Y, Cong, Z. Deposit date: 2023-05-10 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (2.64 Å) Cite: C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids. Mol Catal, 550, 2023
8JC3	Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine Descriptor: 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... Authors: Jiang, Y, Dong, S, Feng, Y, Cong, Z. Deposit date: 2023-05-10 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.82 Å) Cite: C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids. Mol Catal, 550, 2023
5GNM	Cytochrome P450 Vdh (CYP107BR1) L348M mutant Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase Authors: Yasutake, Y, Tamura, T. Deposit date: 2016-07-22 Release date: 2017-05-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site Acta Crystallogr F Struct Biol Commun, 73, 2017
5IBH	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.0201 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBG	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b Descriptor: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBJ	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6 Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IK1	Open state of P450cam after soaking in camphor Descriptor: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE Authors: Mahomed, M, Goodin, D.B, Lee, Y.-T. Deposit date: 2016-03-03 Release date: 2016-05-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Effector Roles of Putidaredoxin on Cytochrome P450cam Conformational States. J.Am.Chem.Soc., 138, 2016
2JJP	Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC) Descriptor: 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. Deposit date: 2008-04-15 Release date: 2009-07-14 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States. Biochemistry, 49, 2010
5IUT	STRUCTURE OF P450 2B4 F202W MUTANT Descriptor: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Jang, H.-H, Halpert, J.R, Shah, M.B. Deposit date: 2016-03-18 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
2GR6	Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Rao, Z, Wong, L.L, Xu, F, Bell, S.G. Deposit date: 2006-04-22 Release date: 2007-04-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Pentachlorobenzene oxidation by engineered cytochrome P450cam: Substrate binding and the mechanism of aromatic C-H bond oxidation To be Published
2GQX	Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene Descriptor: 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ... Authors: Rao, Z, Wong, L.L, Xu, F, Bell, S.G. Deposit date: 2006-04-22 Release date: 2007-04-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam Protein Eng.Des.Sel., 20, 2007
2H7Q	Cytochrome P450cam complexed with imidazole Descriptor: Cytochrome P450-cam, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE Authors: Verras, A, Alian, A, Montellano, P.R. Deposit date: 2006-06-02 Release date: 2006-10-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation. Protein Eng.Des.Sel., 19, 2006

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