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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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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3TMZ
| 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
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3UA5
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3S38
| Structure of Thermus thermophilus cytochrome ba3 oxidase 30s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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3S8G
| 1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V. | Deposit date: | 2011-05-27 | Release date: | 2011-08-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment. Plos One, 6, 2011
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3S3B
| Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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3S39
| Structure of Thermus thermophilus cytochrome ba3 oxidase 60s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.8 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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3TDA
| Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | Descriptor: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2011-08-10 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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3TBG
| Human cytochrome P450 2D6 with two thioridazines bound in active site | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2011-08-05 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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3S3A
| Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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3S8F
| 1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V. | Deposit date: | 2011-05-27 | Release date: | 2011-08-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment. Plos One, 6, 2011
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3S3D
| Structure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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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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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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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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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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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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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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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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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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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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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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