4O93
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![BU of 4o93 by Molmil](/molmil-images/mine/4o93) | Crystal structure of Thermus thermophilis transhydrogeanse domain II dimer | Descriptor: | MERCURY (II) ION, NAD(P) transhydrogenase subunit alpha 2, NAD(P) transhydrogenase subunit beta | Authors: | Leung, J.H, Yamaguchi, M, Moeller, A, Schurig-Briccio, L.A, Gennis, R.B, Potter, C.S, Carragher, B, Stout, C.D. | Deposit date: | 2013-12-31 | Release date: | 2014-12-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural biology. Division of labor in transhydrogenase by alternating proton translocation and hydride transfer. Science, 347, 2015
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4WNT
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![BU of 4wnt by Molmil](/molmil-images/mine/4wnt) | Human Cytochrome P450 2D6 Ajmalicine Complex | Descriptor: | Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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4WNW
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![BU of 4wnw by Molmil](/molmil-images/mine/4wnw) | Human Cytochrome P450 2D6 Thioridazine Complex | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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4WNV
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![BU of 4wnv by Molmil](/molmil-images/mine/4wnv) | Human Cytochrome P450 2D6 Quinine Complex | Descriptor: | Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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4WNU
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![BU of 4wnu by Molmil](/molmil-images/mine/4wnu) | Human Cytochrome P450 2D6 Quinidine Complex | Descriptor: | Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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1L7E
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![BU of 1l7e by Molmil](/molmil-images/mine/1l7e) | Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, nicotinamide nucleotide Transhydrogenase, subunit alpha 1 | Authors: | Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D. | Deposit date: | 2002-03-14 | Release date: | 2002-11-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Transhydrogenase Domain I
with and without Bound NADH Biochemistry, 41, 2002
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1L7D
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![BU of 1l7d by Molmil](/molmil-images/mine/1l7d) | Crystal Structure of R. rubrum Transhydrogenase Domain I without Bound NAD(H) | Descriptor: | nicotinamide nucleotide Transhydrogenase, subunit alpha 1 | Authors: | Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D. | Deposit date: | 2002-03-14 | Release date: | 2002-11-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal Structures of Transhydrogenase Domain I
with and without Bound NADH Biochemistry, 41, 2002
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1LIS
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![BU of 1lis by Molmil](/molmil-images/mine/1lis) | THE CRYSTAL STRUCTURE OF A FERTILIZATION PROTEIN | Descriptor: | LYSIN | Authors: | Shaw, A, Mcree, D.E, Vacquier, V.D, Stout, C.D. | Deposit date: | 1993-06-29 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of lysin, a fertilization protein. Science, 262, 1993
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1LWL
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![BU of 1lwl by Molmil](/molmil-images/mine/1lwl) | Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide) | Descriptor: | ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B. | Deposit date: | 2002-05-31 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening J.AM.CHEM.SOC., 124, 2002
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3QJR
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![BU of 3qjr by Molmil](/molmil-images/mine/3qjr) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3QJT
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![BU of 3qjt by Molmil](/molmil-images/mine/3qjt) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3QJU
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![BU of 3qju by Molmil](/molmil-images/mine/3qju) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3QJV
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![BU of 3qjv by Molmil](/molmil-images/mine/3qjv) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3QJS
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![BU of 3qjs by Molmil](/molmil-images/mine/3qjs) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3QJQ
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![BU of 3qjq by Molmil](/molmil-images/mine/3qjq) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3K9V
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![BU of 3k9v by Molmil](/molmil-images/mine/3k9v) | Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CHAPS | Descriptor: | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | Authors: | Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism. J.Mol.Biol., 396, 2010
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3K9Y
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![BU of 3k9y by Molmil](/molmil-images/mine/3k9y) | Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5 | Descriptor: | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ... | Authors: | Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism. J.Mol.Biol., 396, 2010
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4J16
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![BU of 4j16 by Molmil](/molmil-images/mine/4j16) | Crystal structure of Thermus thermophilus transhydrogenase heterotrimeric complex of the Alpha1 subunit dimer with the NADP binding domain (domain III) of the Beta subunit | Descriptor: | CHLORIDE ION, GLYCEROL, NAD(P) transhydrogenase subunit beta, ... | Authors: | Yamaguchi, M, Leung, J, Schurig Briccio, L.A, Gennis, R.B, Stout, C.D. | Deposit date: | 2013-02-01 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structure analysis of Thermus thermophilus transhydrogenase soluble domains To be Published
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4JLT
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![BU of 4jlt by Molmil](/molmil-images/mine/4jlt) | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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4K4R
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![BU of 4k4r by Molmil](/molmil-images/mine/4k4r) | |
4K4P
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![BU of 4k4p by Molmil](/molmil-images/mine/4k4p) | TL-3 inhibited Trp6Ala HIV Protease | Descriptor: | HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Tiefenbrunn, T, Stout, C.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des., 83, 2014
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3MDT
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![BU of 3mdt by Molmil](/molmil-images/mine/3mdt) | Voriconazole complex of Cytochrome P450 46A1 | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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4K4Q
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![BU of 4k4q by Molmil](/molmil-images/mine/4k4q) | TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site | Descriptor: | 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | Authors: | Tiefenbrunn, T, Stout, C.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des., 83, 2014
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3MDM
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![BU of 3mdm by Molmil](/molmil-images/mine/3mdm) | Thioperamide complex of Cytochrome P450 46A1 | Descriptor: | Cholesterol 24-hydroxylase, N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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3MDV
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![BU of 3mdv by Molmil](/molmil-images/mine/3mdv) | Clotrimazole complex of Cytochrome P450 46A1 | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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