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PDB: 246 件
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
分子名称: 4-methylbenzene-1,2-diamine, DIMETHYL SULFOXIDE, HIV-1 protease, ...
著者Stout, C.D.
登録日2017-04-04
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
著者Stout, C.D, Mast, N, Pikuleva, I.A.
登録日2012-04-13
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2012-03-11
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ...
著者Stout, C.D, Annalora, A, Mast, N, Pikuleva, I.
登録日2010-05-12
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: CYTOCHROME C5, PROTOPORPHYRIN IX CONTAINING FE
著者Stout, C.D, Carter, D.C.
登録日1984-08-10
公開日1984-10-29
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: ACONITASE, ACONITATE ION, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1993-01-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1997-10-17
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of ferricyanide-oxidized [Fe-S] clusters in Azotobacter vinelandii ferredoxin I.
J.Biol.Inorg.Chem., 3, 1998
3KFR
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BU of 3kfr by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 1F1 in the outside/top of flap
分子名称: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFP
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BU of 3kfp by Molmil
HIV Protease (PR) with inhibitor TL-3 bound, and DMSOs in exo site
分子名称: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KF0
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BU of 3kf0 by Molmil
HIV Protease with fragment 4D9 bound
分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D, Perryman, A.L.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFS
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BU of 3kfs by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 2F4 in the outside/top of flap
分子名称: 1-benzothiophen-2-ylacetic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2009-10-28
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFN
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BU of 3kfn by Molmil
HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3TK3
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BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
登録日2011-08-25
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8001 Å)
主引用文献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
分子名称: ACONITASE, IRON/SULFUR CLUSTER, ISOCITRIC ACID
著者Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D.
登録日1991-05-15
公開日1993-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 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, ...
著者Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
登録日2009-11-30
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献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
分子名称: CADMIUM ION, METALLOTHIONEIN ISOFORM II, SODIUM ION, ...
著者Robbins, A.H, Stout, C.D.
登録日1993-02-26
公開日1993-07-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D.
登録日2008-01-07
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献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).
分子名称: GENERAL CONTROL PROTEIN GCN4
著者Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
登録日2004-08-06
公開日2004-09-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献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
分子名称: SPERM LYSIN
著者Shaw, A, Vacquier, V.D, Stout, C.D.
登録日1995-03-03
公開日1995-06-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
分子名称: ACONITASE, IRON/SULFUR CLUSTER, SULFATE ION, ...
著者Robbins, A.H, Stout, C.D.
登録日1990-01-16
公開日1990-07-15
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
著者Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
登録日1998-12-11
公開日1998-12-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A.
登録日2007-07-23
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A.
登録日2007-07-23
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献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
分子名称: 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
著者Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
登録日2009-02-05
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
登録日2009-02-12
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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

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