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1PC5
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BU of 1pc5 by Molmil
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
1PC4
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BU of 1pc4 by Molmil
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
5VJ3
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BU of 5vj3 by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
Descriptor: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, MAGNESIUM ION, Protease
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-04-18
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5E58
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BU of 5e58 by Molmil
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
5W5W
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BU of 5w5w by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
Descriptor: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, HIV-1 protease, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5EM4
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BU of 5em4 by Molmil
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
5VCK
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BU of 5vck by Molmil
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
5E0E
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BU of 5e0e by Molmil
Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 family 2 subfamily B, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Halpert, J.R, Stout, C.D.
Deposit date:2015-09-28
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 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
4EJL
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BU of 4ejl by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1-N in the outside/top of flap
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJ8
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BU of 4ej8 by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1 in the outside/top of flap
Descriptor: 1,2-ETHANEDIOL, 1H-indole-6-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJK
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BU of 4ejk by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1-N in the outside/top of flap
Descriptor: INDOLYLPROPIONIC ACID, Protease, pepstatin
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJD
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BU of 4ejd by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1 in the outside/top of flap
Descriptor: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.103 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
2CCN
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BU of 2ccn by Molmil
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
2BNI
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BU of 2bni by Molmil
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
2CCE
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BU of 2cce by Molmil
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
2AMS
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BU of 2ams by Molmil
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
2CCF
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BU of 2ccf by Molmil
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
2AZC
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BU of 2azc by Molmil
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
2AZB
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BU of 2azb by Molmil
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
2AZ8
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BU of 2az8 by Molmil
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
2AZ9
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BU of 2az9 by Molmil
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
2FLA
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BU of 2fla by Molmil
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
2HAH
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BU of 2hah by Molmil
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
2HB4
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BU of 2hb4 by Molmil
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
2GOY
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BU of 2goy by Molmil
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

221051

數據於2024-06-12公開中

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