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1SUO
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BU of 1suo by Molmil
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
1PO5
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BU of 1po5 by Molmil
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
6M7X
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BU of 6m7x by Molmil
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
5UYS
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BU of 5uys by Molmil
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
6CHI
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BU of 6chi by Molmil
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
6CIR
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BU of 6cir by Molmil
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
6CIZ
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BU of 6ciz by Molmil
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
5IRV
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BU of 5irv by Molmil
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
5IRQ
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BU of 5irq by Molmil
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
2P85
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BU of 2p85 by Molmil
Structure of Human Lung Cytochrome P450 2A13 with indole bound in two alternate conformations
Descriptor: Cytochrome P450 2A13, INDOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Stout, C.D.
Deposit date:2007-03-21
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the human lung cytochrome P450 2A13.
J.Biol.Chem., 282, 2007
3K30
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BU of 3k30 by Molmil
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
3KOH
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BU of 3koh by Molmil
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
3LC4
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BU of 3lc4 by Molmil
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid
Descriptor: 12-(1H-imidazol-1-yl)dodecanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2010-01-09
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
7M8I
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BU of 7m8i by Molmil
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
7M8V
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BU of 7m8v by Molmil
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
4NKX
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BU of 4nkx by Molmil
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
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
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
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
6OYV
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BU of 6oyv by Molmil
Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol
Descriptor: Cytochrome P450 1B1, ESTRADIOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
6OYU
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BU of 6oyu by Molmil
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
6O5Y
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BU of 6o5y by Molmil
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
6WR1
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BU of 6wr1 by Molmil
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:2023-07-26
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
6WR0
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BU of 6wr0 by Molmil
Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
Descriptor: (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 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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