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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
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R.
登録日2004-03-26
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, He, Y.A, Wester, M.R, White, M.A, Chin, C.C, Halpert, J.R, Johnson, E.F, Stout, C.D.
登録日2003-06-13
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ...
著者Scott, E.E, Brixius-Anderko, S.
登録日2018-08-21
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献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
分子名称: (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2017-02-24
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献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
6CIR
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BU of 6cir by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime
分子名称: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Fehl, C.
登録日2018-02-25
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献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
分子名称: 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Fehl, C.
登録日2018-02-25
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
6CHI
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BU of 6chi by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide
分子名称: 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E.
登録日2018-02-22
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献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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Human cytochrome P450 17A1 bound to inhibitor VT-464
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464
著者Scott, E.E, Petrunak, E.M.
登録日2016-03-14
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献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
分子名称: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Scott, E.E, Petrunak, E.M.
登録日2016-03-14
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
7M8I
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BU of 7m8i by Molmil
Human CYP11B2 and human adrenodoxin in complex with fadrozole
分子名称: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Adrenodoxin, Cytochrome P450 11B2, ...
著者Scott, E.E, Brixius-Anderko, S.
登録日2021-03-29
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献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
分子名称: 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ...
著者Scott, E.E, Brixius-Anderko, S.
登録日2021-03-30
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design.
Hypertension, 78, 2021
2P85
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BU of 2p85 by Molmil
Structure of Human Lung Cytochrome P450 2A13 with indole bound in two alternate conformations
分子名称: Cytochrome P450 2A13, INDOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, Stout, C.D.
登録日2007-03-21
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ...
著者Scott, E.E, Reed, T.M, Limburg, J.
登録日2009-09-30
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, Porubsky, P.R.
登録日2009-11-13
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: 12-(1H-imidazol-1-yl)dodecanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, Porubsky, P.R.
登録日2010-01-09
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
4NKX
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Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone
分子名称: PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献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
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKW
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Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
分子名称: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.P.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKV
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Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.646 Å)
主引用文献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
分子名称: (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
6UDL
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Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700
分子名称: Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone
著者Bart, A.G, Scott, E.E.
登録日2019-09-19
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6UDM
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Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bart, A.G, Scott, E.E.
登録日2019-09-19
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.075 Å)
主引用文献Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6WR1
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Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-04-29
公開日2021-05-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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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Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
分子名称: (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-04-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
6WW0
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Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog
分子名称: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-05-07
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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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