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5VEA
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BU of 5vea by Molmil
HIV Protease (PR) with TL-3 in active site and 4-methylbenzene-1,2-diamine in exosite
Descriptor: 4-methylbenzene-1,2-diamine, DIMETHYL SULFOXIDE, HIV-1 protease, ...
Authors:Stout, C.D.
Deposit date:2017-04-04
Release date:2018-04-25
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
4ENH
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BU of 4enh by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Descriptor: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stout, C.D, Mast, N, Pikuleva, I.A.
Deposit date:2012-04-13
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Mol.Pharmacol., 82, 2012
4E43
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BU of 4e43 by Molmil
HIV protease (PR) dimer with acetate in exo site and peptide in active site
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2012-03-11
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3MZS
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BU of 3mzs by Molmil
Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol
Descriptor: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ...
Authors:Stout, C.D, Annalora, A, Mast, N, Pikuleva, I.
Deposit date:2010-05-12
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1.
J.Biol.Chem., 286, 2011
1CC5
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BU of 1cc5 by Molmil
CRYSTAL STRUCTURE OF AZOTOBACTER CYTOCHROME C5 AT 2.5 ANGSTROMS RESOLUTION
Descriptor: CYTOCHROME C5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stout, C.D, Carter, D.C.
Deposit date:1984-08-10
Release date:1984-10-29
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Azotobacter cytochrome c5 at 2.5 A resolution.
J.Mol.Biol., 184, 1985
1ACO
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BU of 1aco by Molmil
CRYSTAL STRUCTURE OF ACONITASE WITH TRANSACONITATE BOUND
Descriptor: ACONITASE, ACONITATE ION, IRON/SULFUR CLUSTER
Authors:Stout, C.D.
Deposit date:1993-01-17
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of aconitase with trans-aconitate and nitrocitrate bound.
J.Mol.Biol., 237, 1994
1AXQ
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BU of 1axq by Molmil
FERRICYANIDE OXIDIZED FDI
Descriptor: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
Authors:Stout, C.D.
Deposit date:1997-10-17
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of ferricyanide-oxidized [Fe-S] clusters in Azotobacter vinelandii ferredoxin I.
J.Biol.Inorg.Chem., 3, 1998
3TK3
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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
7ACN
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BU of 7acn by Molmil
CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND
Descriptor: ACONITASE, IRON/SULFUR CLUSTER, ISOCITRIC ACID
Authors:Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D.
Deposit date:1991-05-15
Release date:1993-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of aconitase with isocitrate and nitroisocitrate bound.
Biochemistry, 31, 1992
3KW4
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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
4MT2
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BU of 4mt2 by Molmil
COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE X-RAY CRYSTAL STRUCTURE OF RAT METALLOTHIONEIN-2
Descriptor: CADMIUM ION, METALLOTHIONEIN ISOFORM II, SODIUM ION, ...
Authors:Robbins, A.H, Stout, C.D.
Deposit date:1993-02-26
Release date:1993-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparison of the NMR solution structure and the x-ray crystal structure of rat metallothionein-2.
Proc.Natl.Acad.Sci.USA, 89, 1992
3BVD
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BU of 3bvd by Molmil
Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D.
Deposit date:2008-01-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases.
Biochemistry, 47, 2008
1W5G
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BU of 1w5g by Molmil
An anti-parallel four helix bundle (acetimide modification).
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-06
Release date:2004-09-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
1LYN
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BU of 1lyn by Molmil
CRYSTAL STRUCTURE AND SUBUNIT DYNAMICS OF THE LYSIN DIMER: EGG ENVELOPES DISSOCIATE DIMERS, THE MONOMER IS THE ACTIVE SPECIES
Descriptor: SPERM LYSIN
Authors:Shaw, A, Vacquier, V.D, Stout, C.D.
Deposit date:1995-03-03
Release date:1995-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure and subunit dynamics of the abalone sperm lysin dimer: egg envelopes dissociate dimers, the monomer is the active species.
J.Cell Biol., 130, 1995
6ACN
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BU of 6acn by Molmil
STRUCTURE OF ACTIVATED ACONITASE. FORMATION OF THE (4FE-4S) CLUSTER IN THE CRYSTAL
Descriptor: ACONITASE, IRON/SULFUR CLUSTER, SULFATE ION, ...
Authors:Robbins, A.H, Stout, C.D.
Deposit date:1990-01-16
Release date:1990-07-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of activated aconitase: formation of the [4Fe-4S] cluster in the crystal.
Proc.Natl.Acad.Sci.USA, 86, 1989
7FDR
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BU of 7fdr by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII, NA DITHIONITE REDUCED, PH 8.5, 1.4A RESOLUTION, 100 K
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
2QPE
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BU of 2qpe by Molmil
An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus
Descriptor: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A.
Deposit date:2007-07-23
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
2QPD
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BU of 2qpd by Molmil
An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus
Descriptor: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A.
Deposit date:2007-07-23
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
3G5N
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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
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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
4N4Y
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BU of 4n4y by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V 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:2013-10-08
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus
To be Published
6FDR
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BU of 6fdr by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT 100K, NA DITHIONITE REDUCED AT PH 8.5, RESOLUTION 1.4 A
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
8ACN
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BU of 8acn by Molmil
CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND
Descriptor: ACONITASE, IRON/SULFUR CLUSTER, NITROISOCITRIC ACID
Authors:Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D.
Deposit date:1991-05-15
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of aconitase with isocitrate and nitroisocitrate bound.
Biochemistry, 31, 1992
3TMZ
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BU of 3tmz by Molmil
Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2011-09-01
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
3UA5
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BU of 3ua5 by Molmil
Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine
Descriptor: Amlodipine, Cytochrome P450 2B6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2011-10-21
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012

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