9BBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bbb by Molmil](/molmil-images/mine/9bbb) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat | Authors: | Sevrioukova, I.F. | Deposit date: | 2024-04-05 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir to be published
|
|
4I3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i3q by Molmil](/molmil-images/mine/4i3q) | |
3LB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lb8 by Molmil](/molmil-images/mine/3lb8) | |
3NXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nxu by Molmil](/molmil-images/mine/3nxu) | |
3GD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gd3 by Molmil](/molmil-images/mine/3gd3) | |
7MK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mk8 by Molmil](/molmil-images/mine/7mk8) | |
1BVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bvy by Molmil](/molmil-images/mine/1bvy) | COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ... | Authors: | Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L. | Deposit date: | 1998-09-21 | Release date: | 1999-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of a cytochrome P450-redox partner electron-transfer complex. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
5A1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a1r by Molmil](/molmil-images/mine/5a1r) | |
3GD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gd4 by Molmil](/molmil-images/mine/3gd4) | |
3UA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ua1 by Molmil](/molmil-images/mine/3ua1) | |
3TJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tjs by Molmil](/molmil-images/mine/3tjs) | Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir | Descriptor: | Cytochrome P450 3A4, 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, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2011-08-24 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch.Biochem.Biophys., 520, 2012
|
|
8SO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8so2 by Molmil](/molmil-images/mine/8so2) | Human CYP3A4 bound to a substrate | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
|
|
8SO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8so1 by Molmil](/molmil-images/mine/8so1) | Human CYP3A4 bound to three caffeine molecules | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
|
|
4I4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i4g by Molmil](/molmil-images/mine/4i4g) | Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir | Descriptor: | Cytochrome P450 3A4, 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, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2012-11-27 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i4h by Molmil](/molmil-images/mine/4i4h) | 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: | 2023-09-20 | 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
|
|
1OQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oqq by Molmil](/molmil-images/mine/1oqq) | Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | Authors: | Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L. | Deposit date: | 2003-03-10 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida J.MOL.BIOL., 333, 2003
|
|
4K9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9t by Molmil](/molmil-images/mine/4k9t) | Complex of CYP3A4 with a desoxyritonavir analog | Descriptor: | Cytochrome P450 3A4, 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, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
1Q1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q1r by Molmil](/molmil-images/mine/1q1r) | |
4K9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9u by Molmil](/molmil-images/mine/4k9u) | Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | Cytochrome P450 3A4, 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, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
4K9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9w by Molmil](/molmil-images/mine/4k9w) | Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | Cytochrome P450 3A4, 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, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
1Q1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q1w by Molmil](/molmil-images/mine/1q1w) | |
4K9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9x by Molmil](/molmil-images/mine/4k9x) | Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
1OQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oqr by Molmil](/molmil-images/mine/1oqr) | Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | Authors: | Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L. | Deposit date: | 2003-03-10 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida J.MOL.BIOL., 333, 2003
|
|
4K9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9v by Molmil](/molmil-images/mine/4k9v) | Complex of CYP3A4 with a desoxyritonavir analog | Descriptor: | 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, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
6OOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ooa by Molmil](/molmil-images/mine/6ooa) | Human CYP3A4 bound to a drug substrate | Descriptor: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-04-22 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin. Int J Mol Sci, 20, 2019
|
|