1XME
 
 | | Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus | | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide I, Cytochrome c oxidase polypeptide II, ... | | Authors: | Hunsicker-Wang, L.M, Pacoma, R.L, Chen, Y, Fee, J.A, Stout, C.D. | | Deposit date: | 2004-10-01 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus.
Acta Crystallogr.,Sect.D, 61, 2005
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2AZC
 | | HIV-1 Protease NL4-3 6X mutant | | Descriptor: | PROTEASE RETROPEPSIN, 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: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-10 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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2AZB
 | | HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3 | | Descriptor: | PROTEASE RETROPEPSIN, 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: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-09 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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1XLT
 | | Crystal structure of Transhydrogenase [(domain I)2:domain III] heterotrimer complex | | Descriptor: | NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sundaresan, V, Chartron, J, Yamaguchi, M, Stout, C.D. | | Deposit date: | 2004-09-30 | | Release date: | 2005-04-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Conformational Diversity in NAD(H) and Transhydrogenase Nicotinamide Nucleotide Binding Domains
J.Mol.Biol., 346, 2005
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2AZ9
 | | HIV-1 Protease NL4-3 1X mutant | | Descriptor: | PROTEASE RETROPEPSIN, 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: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-09 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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2AMS
 | | Structure of the oxidized Hipip from thermochromatium tepidum at 1.4 angstrom resolution | | Descriptor: | GLYCEROL, High potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | | Authors: | Hunsicker-Wang, L.M, Han, W, Stout, C.D, Noodleman, L, Fee, J.A. | | Deposit date: | 2005-08-10 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of Hipip from thermochromtium tepidum: a geomteric, crystallographic, and theoretical study.
To be Published
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2AZ8
 | | HIV-1 Protease NL4-3 in complex with inhibitor, TL-3 | | Descriptor: | PROTEASE RETROPEPSIN, 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: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-09 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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2BNI
 | | pLI mutant E20C L16G Y17H, antiparallel | | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2005-03-24 | | Release date: | 2005-03-30 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
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4G7Q
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4G7R
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4G70
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4G7S
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4GQS
 | | Structure of Human Microsomal Cytochrome P450 (CYP) 2C19 | | Descriptor: | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone, Cytochrome P450 2C19, GLYCEROL, ... | | Authors: | Reynald, R.L, Sansen, S, Stout, C.D, Johnson, E.F. | | Deposit date: | 2012-08-23 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural Characterization of Human Cytochrome P450 2C19: ACTIVE SITE DIFFERENCES BETWEEN P450s 2C8, 2C9, AND 2C19.
J.Biol.Chem., 287, 2012
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4GP5
 | | Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Li, Y, Chen, Y, Stout, C.D. | | Deposit date: | 2012-08-20 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
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4GP4
 | | Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Li, Y, Chen, Y, Stout, C.D. | | Deposit date: | 2012-08-20 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
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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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4G72
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4I91
 | | Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6.
J.Am.Chem.Soc., 135, 2013
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4GP8
 | | Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Li, Y, Chen, Y, Stout, C.D. | | Deposit date: | 2012-08-20 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
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4HYX
 | | Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle | | Descriptor: | Bacteriorhodopsin, DECANE, GLYCEROL, ... | | Authors: | Lee, S, Stout, C.D, Zhang, Q. | | Deposit date: | 2012-11-14 | | Release date: | 2013-03-20 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HWL
 | | Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle | | Descriptor: | Bacteriorhodopsin, GLYCEROL, HEPTANE, ... | | Authors: | Lee, S, Stout, C.D, Zhang, Q. | | Deposit date: | 2012-11-08 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4J1T
 | | Crystal structure of Thermus thermophilus transhydrogenase heterotrimeric complex of the Alpha1 subunit dimer with the NADP binding domain (domain III) of the Beta subunit in P2(1) | | Descriptor: | GLYCEROL, NAD(P) transhydrogenase subunit beta, NAD/NADP transhydrogenase alpha subunit 1, ... | | Authors: | Yamaguchi, M, Leung, J, Schurig Briccio, L.A, Gennis, R.B, Stout, C.D. | | Deposit date: | 2013-02-02 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure analysis of Thermus thermophilus transhydrogenase soluble domains
To be Published
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4G71
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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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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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