1PC5
 
 | | Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution | | Descriptor: | FE3-S4 CLUSTER, Ferredoxin I, IRON/SULFUR CLUSTER | | Authors: | Camba, R, Jung, Y.S, Chen, K, Hunsicker-Wang, L.M, Burgess, B.K, Stout, C.D, Hirst, J, Armstrong, F.A. | | Deposit date: | 2003-05-15 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms of redox-coupled proton transfer in proteins: role of the proximal proline in reactions of the [3Fe-4S] cluster in Azotobacter vinelandii ferredoxin I
Biochemistry, 42, 2003
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1PC4
 | | Crystal Structure of the P50A mutant of ferredoxin I at 1.65 A Resolution | | Descriptor: | FE3-S4 CLUSTER, Ferredoxin I, IRON/SULFUR CLUSTER | | Authors: | Camba, R, Jung, Y.S, Chen, K, Hunsicker-Wang, L.M, Burgess, B.K, Stout, C.D, Hirst, J, Armstrong, F.A. | | Deposit date: | 2003-05-15 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanisms of redox-coupled proton transfer in proteins: role of the proximal proline in reactions of the [3Fe-4S] cluster in Azotobacter vinelandii ferredoxin I
Biochemistry, 42, 2003
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5VJ3
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5E58
 | | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-10-08 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
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5W5W
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5EM4
 | | Structure of CYP2B4 F244W in a ligand free 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: | 2015-11-05 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
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5VCK
 | | HIV Protease (PR) with TL-3 in the active site and (Z)-N-(thiazol-2-yl)-N'-tosylcarbamimidate in the exosite | | Descriptor: | 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide, Protease, 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: | 2017-03-31 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
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5E0E
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4EJL
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4EJ8
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4EJK
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4EJD
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2CCN
 | | pLI E20C is antiparallel | | Descriptor: | General control protein GCN4 | | Authors: | Yadav, M.K, Leman, L.J, Price, D.J, Brooks 3rd, C.L, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2006-01-16 | | Release date: | 2006-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution.
Biochemistry, 45, 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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2CCE
 | | Parallel Configuration of pLI E20S | | Descriptor: | General control protein GCN4 | | Authors: | Yadav, M.K, Leman, L.J, Price, D.J, Brooks 3rd, C.L, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2006-01-16 | | Release date: | 2006-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution.
Biochemistry, 45, 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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2CCF
 | | Antiparallel Configuration of pLI E20S | | Descriptor: | General control protein GCN4 | | Authors: | Yadav, M.K, Leman, L.J, Price, D.J, Brooks 3rd, C.L, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2006-01-16 | | Release date: | 2006-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution.
Biochemistry, 45, 2006
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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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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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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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2FLA
 | | Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution | | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | | Authors: | Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A. | | Deposit date: | 2006-01-05 | | Release date: | 2006-12-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study.
To be Published
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2HAH
 | | The structure of FIV 12S protease in complex with TL-3 | | Descriptor: | Protease, 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, Lin, Y.C, Elder, J.H, Stout, C.D. | | Deposit date: | 2006-06-12 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of an FIV/HIV chimeric protease complexed with the broad-based inhibitor, TL-3.
Retrovirology, 4, 2007
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2HB4
 | | Structure of HIV Protease NL4-3 in an Unliganded State | | Descriptor: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | | Authors: | Heaslet, H, Tam, K, Elder, J.H, Stout, C.D. | | Deposit date: | 2006-06-13 | | Release date: | 2007-06-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
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2GOY
 | | Crystal structure of assimilatory adenosine 5'-phosphosulfate reductase with bound APS | | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, IRON/SULFUR CLUSTER, adenosine phosphosulfate reductase | | Authors: | Chartron, J, Carroll, K.S, Shiau, C, Gao, H, Leary, J.A, Bertozzi, C.R, Stout, C.D. | | Deposit date: | 2006-04-14 | | Release date: | 2006-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substrate Recognition, Protein Dynamics, and Iron-Sulfur Cluster in Pseudomonas aeruginosa Adenosine 5'-Phosphosulfate Reductase.
J.Mol.Biol., 364, 2006
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