1A6L
 
 | | T14C MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Gao-Sheridan, H.S, Kemper, M.A, Khayat, R, Armstrong, F.A, Prasad, G.S, Sridhar, V, Stout, C.D, Burgess, B.K. | | Deposit date: | 1998-02-26 | | Release date: | 1998-05-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A T14C variant of Azotobacter vinelandii ferredoxin I undergoes facile [3Fe-4S]0 to [4Fe-4S]2+ conversion in vitro but not in vivo.
J.Biol.Chem., 273, 1998
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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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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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4K4R
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4K4P
 | | TL-3 inhibited Trp6Ala HIV Protease | | Descriptor: | HIV-1 protease, NITRATE ION, 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: | 2013-04-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 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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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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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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1NIT
 | | CRYSTAL STRUCTURE OF ACONITASE WITH TRANS-ACONITATE AND NITROCITRATE BOUND | | Descriptor: | ACONITASE, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D. | | Deposit date: | 1993-01-17 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of aconitase with trans-aconitate and nitrocitrate bound.
J.Mol.Biol., 237, 1994
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1NIS
 | | CRYSTAL STRUCTURE OF ACONITASE WITH TRANS-ACONITATE AND NITROCITRATE BOUND | | Descriptor: | 2-HYDROXY-2-NITROMETHYL SUCCINIC ACID, ACONITASE, IRON/SULFUR CLUSTER | | Authors: | Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D. | | Deposit date: | 1993-01-17 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of aconitase with trans-aconitate and nitrocitrate bound.
J.Mol.Biol., 237, 1994
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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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3LYN
 | | STRUCTURE OF GREEN ABALONE LYSIN DIMER | | Descriptor: | SPERM LYSIN | | Authors: | Kresge, N, Vacquier, V.D, Stout, C.D. | | Deposit date: | 1999-05-19 | | Release date: | 2000-03-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The high resolution crystal structure of green abalone sperm lysin: implications for species-specific binding of the egg receptor.
J.Mol.Biol., 296, 2000
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1B0K
 | | S642A:FLUOROCITRATE COMPLEX OF ACONITASE | | Descriptor: | CITRATE ANION, IRON/SULFUR CLUSTER, OXYGEN ATOM, ... | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1998-11-11 | | Release date: | 1999-11-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
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1BR3
 | | CRYSTAL STRUCTURE OF AN 82-NUCLEOTIDE RNA-DNA COMPLEX FORMED BY THE 10-23 DNA ENZYME | | Descriptor: | DNA (10-23 DNA ENZYME), RNA (5'-R(*GP*GP*AP*CP*AP*GP*AP*UP*GP*GP*GP*AP*G)-3') | | Authors: | Nowakowski, J, Shim, P.J, Prasad, G.S, Stout, C.D, Joyce, G.F. | | Deposit date: | 1998-08-13 | | Release date: | 1999-02-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of an 82-nucleotide RNA-DNA complex formed by the 10-23 DNA enzyme.
Nat.Struct.Biol., 6, 1999
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1C96
 | | S642A:CITRATE COMPLEX OF ACONITASE | | Descriptor: | CITRATE ANION, IRON/SULFUR CLUSTER, MITOCHONDRIAL ACONITASE, ... | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1999-07-31 | | Release date: | 1999-08-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
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1B0J
 | | CRYSTAL STRUCTURE OF ACONITASE WITH ISOCITRATE | | Descriptor: | ACONITATE HYDRATASE, IRON/SULFUR CLUSTER, ISOCITRIC ACID | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1998-11-10 | | Release date: | 1998-11-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex
Protein Sci., 8, 1999
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1B0T
 | | D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN I) | | Authors: | Sridhar, V, Stout, C.D, Chen, K, Kemper, M.A, Burgess, B.K. | | Deposit date: | 1998-11-12 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the D15K/K84D Mutant of Azotobacter Vinelandii Ferredoxin I
To be Published
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1B0M
 | | ACONITASE R644Q:FLUOROCITRATE COMPLEX | | Descriptor: | CITRATE ANION, IRON/SULFUR CLUSTER, PROTEIN (ACONITASE) | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1998-11-11 | | Release date: | 1998-11-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
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1C97
 | | S642A:ISOCITRATE COMPLEX OF ACONITASE | | Descriptor: | IRON/SULFUR CLUSTER, ISOCITRIC ACID, MITOCHONDRIAL ACONITASE, ... | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1999-07-31 | | Release date: | 1999-08-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
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1A8P
 | | FERREDOXIN REDUCTASE FROM AZOTOBACTER VINELANDII | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH:FERREDOXIN OXIDOREDUCTASE | | Authors: | Prasad, G.S, Kresge, N, Muhlberg, A.B, Shaw, A, Jung, Y.S, Burgess, B.K, Stout, C.D. | | Deposit date: | 1998-03-28 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of NADPH:ferredoxin reductase from Azotobacter vinelandii.
Protein Sci., 7, 1998
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1B0V
 | | I40N MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN) | | Authors: | Sridhar, V, Prasad, G.S, Stout, C.D, Chen, K, Burgess, B.K. | | Deposit date: | 1998-11-12 | | Release date: | 2000-01-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Alteration of the reduction potential of the [4Fe-4S](2+/+) cluster of Azotobacter vinelandii ferredoxin I.
J.Biol.Chem., 274, 1999
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4H1N
 | | Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | | Deposit date: | 2012-09-10 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket.
Arch.Biochem.Biophys., 530, 2013
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3QJR
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2011-01-30 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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3QJS
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2011-01-30 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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3QJQ
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2011-01-30 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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3QJU
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2011-01-30 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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