1SUO
 
 | | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | | Deposit date: | 2004-03-26 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
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1PO5
 | | Structure of mammalian cytochrome P450 2B4 | | Descriptor: | Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, He, Y.A, Wester, M.R, White, M.A, Chin, C.C, Halpert, J.R, Johnson, E.F, Stout, C.D. | | Deposit date: | 2003-06-13 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An open conformation of mammalian cytochrome P450 2B4 at 1.6 A resolution
Proc.Natl.Acad.Sci.USA, 100, 2003
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6M7X
 | | Structure of human CYP11B1 in complex with fadrozole | | Descriptor: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
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2P85
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5UYS
 | | Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | | Descriptor: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E, Petrunak, E.M. | | Deposit date: | 2017-02-24 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
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6CIR
 | | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | | Descriptor: | 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E, Fehl, C. | | Deposit date: | 2018-02-25 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
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6CIZ
 | | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile | | Descriptor: | 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E, Fehl, C. | | Deposit date: | 2018-02-25 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
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6CHI
 | | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide | | Descriptor: | 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E. | | Deposit date: | 2018-02-22 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
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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
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5IRQ
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3KOH
 | | Cytochrome P450 2E1 with omega-imidazolyl octanoic acid | | Descriptor: | 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, Porubsky, P.R. | | Deposit date: | 2009-11-13 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
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3LC4
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3K30
 | | Histamine dehydrogenase from Nocardiodes simplex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ... | | Authors: | Scott, E.E, Reed, T.M, Limburg, J. | | Deposit date: | 2009-09-30 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of histamine dehydrogenase from Nocardioides simplex.
J.Biol.Chem., 285, 2010
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4NKW
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7M8I
 | | Human CYP11B2 and human adrenodoxin in complex with fadrozole | | Descriptor: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Adrenodoxin, Cytochrome P450 11B2, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2021-03-29 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural and functional insights into aldosterone synthase interaction with its redox partner protein adrenodoxin.
J.Biol.Chem., 296, 2021
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7M8V
 | | Human CYP11B2 in complex with LCI699 | | Descriptor: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design.
Hypertension, 78, 2021
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4NKV
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4NKX
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4NKY
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4NKZ
 | | 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
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6OYV
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6OYU
 | | Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone | | Descriptor: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ... | | Authors: | Bart, A.G, Harris, K.L, Scott, E.E. | | Deposit date: | 2019-05-15 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
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6O5Y
 | | Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | | Descriptor: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, Cytochrome P450 1A1, NITRATE ION, ... | | Authors: | Bart, A.G, Scott, E.E. | | Deposit date: | 2019-03-04 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Human Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Drug Metab.Dispos., 48, 2020
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6UDL
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6UDM
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