Author results

1SUO
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STRUCTURE OF MAMMALIAN CYTOCHROME P450 2B4 WITH BOUND 4-(4-CHLOROPHENYL)IMIDAZOLE
Descriptor:Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, 4-(4-CHLOROPHENYL)IMIDAZOLE
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:2011-07-13
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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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:2011-07-13
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
2P85
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STRUCTURE OF HUMAN LUNG CYTOCHROME P450 2A13 WITH INDOLE BOUND IN TWO ALTERNATE CONFORMATIONS
Descriptor:Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE, INDOLE
Authors:Scott, E.E., Stout, C.D.
Deposit date:2007-03-21
Release date:2007-04-10
Last modified:2011-07-13
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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HISTAMINE DEHYDROGENASE FROM NOCARDIODES SIMPLEX
Descriptor:Histamine dehydrogenase, IRON/SULFUR CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Scott, E.E., Reed, T.M., Limburg, J.
Deposit date:2009-09-30
Release date:2010-05-26
Last modified:2011-07-13
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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CYTOCHROME P450 2E1 WITH OMEGA-IMIDAZOLYL OCTANOIC ACID
Descriptor:Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, 8-(1H-imidazol-1-yl)octanoic acid
Authors:Scott, E.E., Porubsky, P.R.
Deposit date:2009-11-13
Release date:2010-05-12
Last modified:2017-11-01
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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HUMAN CYTOCHROME P450 2E1 IN COMPLEX WITH OMEGA-IMIDAZOLYL-DODECANOIC ACID
Descriptor:Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, 12-(1H-imidazol-1-yl)dodecanoic acid
Authors:Scott, E.E., Porubsky, P.R.
Deposit date:2010-01-09
Release date:2010-05-12
Last modified:2011-07-13
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
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
6M7X
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STRUCTURE OF HUMAN CYP11B1 IN COMPLEX WITH FADROZOLE
Descriptor:Cytochrome P450 11B1, mitochondrial, 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, ...
Authors:Scott, E.E., Brixius-Anderko, S.
Deposit date:2018-08-21
Release date:2018-11-21
Last modified:2019-01-23
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
1M6C
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V68N MYOGLOBIN WITH CO
Descriptor:PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, CARBON MONOXIDE
Authors:Murshudov, G.N., Krzywda, S., Brzozowski, A.M., Jaskolski, M., Scott, E.E., Klizas, S.A., Gibson, Q.H., Olson, J.S., Wilkinson, A.J.
Deposit date:1998-08-12
Release date:1998-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1M6M
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V68N MET MYOGLOBIN
Descriptor:PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N., Krzywda, S., Brzozowski, A.M., Jaskolski, M., Scott, E.E., Klizas, S.A., Gibson, Q.H., Olson, J.S., Wilkinson, A.J.
Deposit date:1998-08-13
Release date:1998-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MDN
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WILD TYPE MYOGLOBIN WITH CO
Descriptor:PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N., Krzywda, S., Brzozowski, A.M., Jaskolski, M., Scott, E.E., Klizas, S.A., Gibson, Q.H., Olson, J.S., Wilkinson, A.J.
Deposit date:1998-08-12
Release date:1998-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MNO
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V68N MYOGLOBIN OXY FORM
Descriptor:PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, OXYGEN MOLECULE
Authors:Murshudov, G.N., Krzywda, S., Brzozowski, A.M., Jaskolski, M., Scott, E.E., Klizas, S.A., Gibson, Q.H., Olson, J.S., Wilkinson, A.J.
Deposit date:1998-08-13
Release date:1998-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MWC
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WILD TYPE MYOGLOBIN WITH CO
Descriptor:PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, CARBON MONOXIDE
Authors:Murshudov, G.N., Krzywda, S., Brzozowski, A.M., Jaskolski, M., Scott, E.E., Klizas, S.A., Gibson, Q.H., Olson, J.S., Wilkinson, A.J.
Deposit date:1998-08-12
Release date:1998-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MWD
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WILD TYPE DEOXY MYOGLOBIN
Descriptor:PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N., Krzywda, S., Brzozowski, A.M., Jaskolski, M., Scott, E.E., Klizas, A.A., Gibson, Q.H., Olson, J.S., Wilkinson, A.J.
Deposit date:1998-08-11
Release date:1998-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
3E4E
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HUMAN CYTOCHROME P450 2E1 IN COMPLEX WITH THE INHIBITOR 4-METHYLPYRAZOLE
Descriptor:Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, 4-methyl-1H-pyrazole
Authors:Meneely, K.M., Porubsky, P.R., Scott, E.E.
Deposit date:2008-08-11
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
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