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3RUK
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HUMAN CYTOCHROME P450 CYP17A1 IN COMPLEX WITH ABIRATERONE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, Abiraterone
Authors:DeVore, N.M., Scott, E.E.
Deposit date:2011-05-05
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
3SWZ
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HUMAN CYTOCHROME P450 17A1 IN COMPLEX WITH TOK-001
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol
Authors:DeVore, N.M., Scott, E.E.
Deposit date:2011-07-14
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
4NKV
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HUMAN STEROIDOGENIC CYTOCHROME P450 17A1 MUTANT A105L WITH INHIBITOR ABIRATERONE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, Abiraterone
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.646 Å)
Cite: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
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE
Authors:Scott, E.E., Petrunak, E.P.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKX
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HUMAN STEROIDOGENIC CYTOCHROME P450 17A1 MUTANT A105L WITH SUBSTRATE PROGESTERONE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, PROGESTERONE
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2014-12-03
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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HUMAN STEROIDOGENIC CYTOCHROME P450 17A1 MUTANT A105L WITH SUBSTRATE 17ALPHA-HYDROXYPROGESTERONE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, (9beta)-17-hydroxypregn-4-ene-3,20-dione
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKZ
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HUMAN STEROIDOGENIC CYTOCHROME P450 17A1 MUTANT A105L WITH SUBSTRATE 17ALPHA-HYDROXYPREGNENOLONE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
5IRQ
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HUMAN CYTOCHROME P450 17A1 BOUND TO INHIBITORS (R)- AND (S)- ORTERONEL
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, (R)-orteronel, ...
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2016-03-14
Release date:2017-03-15
Last modified:2017-09-13
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
5IRV
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HUMAN CYTOCHROME P450 17A1 BOUND TO INHIBITOR VT-464
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, VT-464
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2016-03-14
Release date:2017-03-15
Last modified:2017-09-13
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
5UYS
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HUMAN STEROIDOGENIC CYTOCHROME P450 17A1 WITH 3ALPHAOH-5ALPHA-ABIRATERONE ANALOG
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
Authors:Scott, E.E., Petrunak, E.M.
Deposit date:2017-02-24
Release date:2018-02-28
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Binding of Abiraterone Analogs Inhibiting Steroidogenic Cytochrome P450 17A1
To Be Published
6CHI
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HUMAN CYTOCHROME P450 17A1 IN COMPLEX WITH INHIBITOR: ABIRATERONE C6 AMIDE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide
Authors:Scott, E.E.
Deposit date:2018-02-22
Release date:2018-06-06
Last modified:2018-06-27
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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HUMAN CYTOCHROME P450 17A1 IN COMPLEX WITH INHIBITOR: ABIRATERONE C6 OXIME
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
Authors:Scott, E.E., Fehl, C.
Deposit date:2018-02-25
Release date:2018-06-06
Last modified:2018-06-27
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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HUMAN CYTOCHROME P450 17A1 IN COMPLEX WITH INHIBITOR: ABIRATERONE C6 NITRILE
Descriptor:Steroid 17-alpha-hydroxylase/17,20 lyase, PROTOPORPHYRIN IX CONTAINING FE, 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol
Authors:Scott, E.E., Fehl, C.
Deposit date:2018-02-25
Release date:2018-06-06
Last modified:2018-06-27
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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