Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3R1A
DownloadVisualize
BU of 3r1a by Molmil
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
3R1B
DownloadVisualize
BU of 3r1b by Molmil
Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
3ME6
DownloadVisualize
BU of 3me6 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel
Descriptor: Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2010-03-31
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
3KW4
DownloadVisualize
BU of 3kw4 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Descriptor: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2009-11-30
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
3IBD
DownloadVisualize
BU of 3ibd by Molmil
Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R.
Deposit date:2009-07-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
3G5N
DownloadVisualize
BU of 3g5n by Molmil
Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
Descriptor: 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
Deposit date:2009-02-05
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
3G93
DownloadVisualize
BU of 3g93 by Molmil
Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
Descriptor: 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
Deposit date:2009-02-12
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
3CR8
DownloadVisualize
BU of 3cr8 by Molmil
Hexameric APS kinase from Thiobacillus denitrificans
Descriptor: Sulfate adenylyltransferase, adenylylsulfate kinase
Authors:Gay, S.C, Segel, I.H, Fisher, A.J.
Deposit date:2008-04-04
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the two-domain hexameric APS kinase from Thiobacillus denitrificans: structural basis for the absence of ATP sulfurylase activity.
Acta Crystallogr.,Sect.D, 65, 2009
3CR7
DownloadVisualize
BU of 3cr7 by Molmil
Crystal structure of N-terminal truncation of APS Kinase from Penicillium chrysogenum: Ternary structure with ADP and PAPS
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, ADENOSINE-5'-DIPHOSPHATE, Adenylyl-sulfate kinase, ...
Authors:Gay, S.C, Segel, I.H, Fisher, A.J.
Deposit date:2008-04-04
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Truncated APS kinase from Pencillium chrysogenum: Insight into the function of the N-terminal helix
To be Published
3UAS
DownloadVisualize
BU of 3uas by Molmil
Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F.
Deposit date:2011-10-21
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.939 Å)
Cite:Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
3TK3
DownloadVisualize
BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2011-08-25
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8001 Å)
Cite:Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
7L4W
DownloadVisualize
BU of 7l4w by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 2d
Descriptor: (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase
Authors:Qin, L, Gay, S.C, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4T
DownloadVisualize
BU of 7l4t by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ...
Authors:Qin, L, Gay, S.C, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7N6F
DownloadVisualize
BU of 7n6f by Molmil
Co-complex CYP46A1 with compound 3f
Descriptor: (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ...
Authors:Lane, W, Gay, S.C.
Deposit date:2021-06-08
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Eur.J.Med.Chem., 240, 2022
7L4U
DownloadVisualize
BU of 7l4u by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1h
Descriptor: (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase
Authors:Qin, L, Lane, W, Skene, R.J, Dougan, D.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L50
DownloadVisualize
BU of 7l50 by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 4f
Descriptor: (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase
Authors:Qin, L, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
3MVR
DownloadVisualize
BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2010-05-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon