1SUO
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![BU of 1suo by Molmil](/molmil-images/mine/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
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![BU of 1po5 by Molmil](/molmil-images/mine/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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3K30
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![BU of 3k30 by Molmil](/molmil-images/mine/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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5IRV
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![BU of 5irv by Molmil](/molmil-images/mine/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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![BU of 5irq by Molmil](/molmil-images/mine/5irq) | |
2P85
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![BU of 2p85 by Molmil](/molmil-images/mine/2p85) | |
6M7X
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![BU of 6m7x by Molmil](/molmil-images/mine/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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5UYS
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![BU of 5uys by Molmil](/molmil-images/mine/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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3LC4
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![BU of 3lc4 by Molmil](/molmil-images/mine/3lc4) | |
3KOH
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![BU of 3koh by Molmil](/molmil-images/mine/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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6CIR
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![BU of 6cir by Molmil](/molmil-images/mine/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
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![BU of 6ciz by Molmil](/molmil-images/mine/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
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![BU of 6chi by Molmil](/molmil-images/mine/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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7M8I
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![BU of 7m8i by Molmil](/molmil-images/mine/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
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![BU of 7m8v by Molmil](/molmil-images/mine/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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![BU of 4nkv by Molmil](/molmil-images/mine/4nkv) | |
4NKZ
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![BU of 4nkz by Molmil](/molmil-images/mine/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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4NKX
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4NKY
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![BU of 4nky by Molmil](/molmil-images/mine/4nky) | |
4NKW
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![BU of 4nkw by Molmil](/molmil-images/mine/4nkw) | |
6O5Y
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![BU of 6o5y by Molmil](/molmil-images/mine/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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4MIK
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![BU of 4mik by Molmil](/molmil-images/mine/4mik) | Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine, Phenylethanolamine N-methyltransferase | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2013-08-31 | Release date: | 2014-09-10 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.9506 Å) | Cite: | To be published To be Published
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4MQ4
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![BU of 4mq4 by Molmil](/molmil-images/mine/4mq4) | Crystal Structure of hPNMT in Complex with bisubstrate inhibitor N-(3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)propyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine, Phenylethanolamine N-methyltransferase | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2013-09-15 | Release date: | 2014-10-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.2042 Å) | Cite: | To be Published To be Published
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6UDM
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![BU of 6udm by Molmil](/molmil-images/mine/6udm) | |
6WR1
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![BU of 6wr1 by Molmil](/molmil-images/mine/6wr1) | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 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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