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1TQN
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CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 3A4
Descriptor:cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yano, J.K., Wester, M.R., Schoch, G.A., Griffin, K.J., Stout, C.D., Johnson, E.F.
Deposit date:2004-06-17
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution
J.Biol.Chem., 279, 2004
1W0E
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A., Cosme, J., Vinkovic, D.M., Ward, A., Angove, H.C., Day, P.J., Vonrhein, C., Tickle, I.J., Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W0F
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4
Descriptor:CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A., Cosme, J., Vinkovic, D.M., Ward, A., Angove, H.C., Day, P.J., Vonrhein, C., Tickle, I.J., Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W0G
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4
Descriptor:CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A., Cosme, J., Vinkovic, D.M., Ward, A., Angove, H.C., Day, P.J., Vonrhein, C., Tickle, I.J., Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
2J0D
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CRYSTAL STRUCTURE OF HUMAN P450 3A4 IN COMPLEX WITH ERYTHROMYCIN
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, ERYTHROMYCIN A
Authors:Sjogren, T., Ekroos, M.
Deposit date:2006-08-02
Release date:2006-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
2V0M
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CRYSTAL STRUCTURE OF HUMAN P450 3A4 IN COMPLEX WITH KETOCONAZOLE
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
Authors:Sjogren, T., Ekroos, M.
Deposit date:2007-05-15
Release date:2007-06-26
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
3NXU
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P4503A4 BOUND TO AN INHIBITOR RITONAVIR
Descriptor:Cytochrome P450 3A4, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2010-07-14
Release date:2010-10-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir.
Proc.Natl.Acad.Sci.USA, 107, 2010
3TJS
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN HUMAN CYTOCHROME P450 3A4 AND DESTHIAZOLYLMETHYLOXYCARBONYL RITONAVIR
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2011-08-24
Release date:2012-03-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Interaction of human cytochrome P4503A4 with ritonavir analogs.
Arch.Biochem.Biophys., 520, 2012
3UA1
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CRYSTAL STRUCTURE OF THE CYTOCHROME P4503A4-BROMOERGOCRYPTINE COMPLEX
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, bromoergocryptine
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2011-10-20
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand.
J.Biol.Chem., 287, 2012
4D6Z
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CYTOCHROME P450 3A4 BOUND TO IMIDAZOLE AND AN INHIBITOR
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate, ...
Authors:Sevrioukova, I., Poulos, T.
Deposit date:2014-11-19
Release date:2015-09-23
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D75
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CYTOCHROME P450 3A4 BOUND TO AN INHIBITOR
Descriptor:CYTOCHROME P450 3A4, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I., Poulos, T.
Deposit date:2014-11-19
Release date:2015-09-23
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D78
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CYTOCHROME P450 3A4 BOUND TO AN INHIBITOR
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate, ...
Authors:Sevrioukova, I., Poulos, T.
Deposit date:2014-11-21
Release date:2015-09-23
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D7D
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CYTOCHROME P450 3A4 BOUND TO AN INHIBITOR
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
Authors:Sevrioukova, I., Poulos, T.
Deposit date:2014-11-22
Release date:2015-09-23
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4I3Q
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CRYSTAL STRUCTURE OF HUMAN CYP3A4 COORDINATED TO A WATER MOLECULE
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2012-11-26
Release date:2013-04-24
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
4I4G
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CRYSTAL STRUCTURE OF CYP3A4 LIGATED TO OXAZOLE-SUBSTITUTED DESOXYRITONAVIR
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2012-11-27
Release date:2013-04-24
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
4I4H
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CRYSTAL STRUCTURE OF CYP3A4 LIGATED TO PYRIDINE-SUBSTITUTED DESOXYRITONAVIR
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2012-11-27
Release date:2013-04-24
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
4K9T
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COMPLEX OF CYP3A4 WITH A DESOXYRITONAVIR ANALOG
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9U
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COMPLEX OF HUMAN CYP3A4 WITH A DESOXYRITONAVIR ANALOG
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9V
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COMPLEX OF CYP3A4 WITH A DESOXYRITONAVIR ANALOG
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9W
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COMPLEX OF HUMAN CYP3A4 WITH A DESOXYRITONAVIR ANALOG
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9X
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COMPLEX OF HUMAN CYP3A4 WITH A DESOXYRITONAVIR ANALOG
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4NY4
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CRYSTAL STRUCTURE OF CYP3A4 IN COMPLEX WITH AN INHIBITOR
Descriptor:Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
Authors:Branden, G., Sjogren, T., Xue, Y.
Deposit date:2013-12-10
Release date:2014-08-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
5A1P
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CRYSTAL STRUCTURE OF CYTOCHROME P450 3A4 BOUND TO PROGESTERONE AND CITRATE
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, PROGESTERONE, ...
Authors:Sevrioukova, I., Poulos, T.
Deposit date:2015-05-04
Release date:2015-06-24
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anion-Dependent Stimulation of Cyp3A4 Monooxygenase.
Biochemistry, 54, 2015
5A1R
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CRYSTAL STRUCTURE OF CYTOCHROME P450 3A4 BOUND TO PROGESTERONE
Descriptor:CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F., Poulos, T.L.
Deposit date:2015-05-04
Release date:2015-06-24
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Anion-Dependent Stimulation of Cyp3A4 Monooxygenase
Biochemistry, 54, 2015
5G5J
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CRYSTAL STRUCTURE OF HUMAN CYP3A4 BOUND TO METFORMIN
Descriptor:CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
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