3SOD
| CHANGES IN CRYSTALLOGRAPHIC STRUCTURE AND THERMOSTABILITY OF A CU,ZN SUPEROXIDE DISMUTASE MUTANT RESULTING FROM THE REMOVAL OF BURIED CYSTEINE | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Mcree, D.E, Redford, S.M, Getzoff, E.D, Lepock, J.R, Hallewell, R.A, Tainer, J.A. | Deposit date: | 1990-06-26 | Release date: | 1993-04-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Changes in crystallographic structure and thermostability of a Cu,Zn superoxide dismutase mutant resulting from the removal of a buried cysteine. J.Biol.Chem., 265, 1990
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1UBN
| SELENOSUBTILISIN BPN | Descriptor: | CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN) | Authors: | McRee, D.E, McTigue, M, Hilvert, D. | Deposit date: | 1999-06-02 | Release date: | 1999-06-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins. Biochemistry, 38, 1999
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1CCG
| CONSTRUCTION OF A BIS-AQUO HEME ENZYME AND REPLACEMENT WITH EXOGENOUS LIGAND | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mcree, D.E, Jensen, G.M, Fitzgerald, M.M, Siegel, H.A, Goodin, D.B. | Deposit date: | 1994-05-04 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Construction of a bisaquo heme enzyme and binding by exogenous ligands. Proc.Natl.Acad.Sci.USA, 91, 1994
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1CCE
| CONSTRUCTION OF A BIS-AQUO HEME ENZYME AND REPLACEMENT WITH EXOGENOUS LIGAND | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mcree, D.E, Jensen, G.M, Fitzgerald, M.M, Siegel, H.A, Goodin, D.B. | Deposit date: | 1994-05-04 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Construction of a bisaquo heme enzyme and binding by exogenous ligands. Proc.Natl.Acad.Sci.USA, 91, 1994
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1D9V
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1FOC
| Cytochrome C557: improperly folded thermus thermophilus C552 | Descriptor: | CYTOCHROME RC557, HEME C | Authors: | McRee, D.E, Williams, P.A, Fee, J.A, Bren, K.L. | Deposit date: | 2000-08-27 | Release date: | 2000-11-08 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recombinant cytochrome rC557 obtained from Escherichia coli cells expressing a truncated Thermus thermophilus cycA gene. Heme inversion in an improperly matured protein J.Biol.Chem., 276, 2001
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1D9Y
| NEISSERIA GONORRHOEAE FERRIC BINDING PROTEIN | Descriptor: | FE (III) ION, PHOSPHATE ION, PROTEIN (PERIPLASMIC IRON-BINDING PROTEIN) | Authors: | McRee, D.E, Bruns, C.M, Williams, P.A, Mietzner, T.A, Nunn, R. | Deposit date: | 1999-10-30 | Release date: | 1999-11-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Iron Uptake in the Pathogen Neisseria gonorrhoeae To be Published
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4CCX
| ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1995-03-17 | Release date: | 1995-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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6FDR
| 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
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6FD1
| 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII LOW TEMPERATURE, 1.35 A | Descriptor: | 7-FE FERREDOXIN I (FD1), FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Stout, C.D, Stura, E.A, Mcree, D.E. | Deposit date: | 1997-09-17 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of Azotobacter vinelandii 7Fe ferredoxin at 1.35 A resolution and determination of the [Fe-S] bonds with 0.01 A accuracy. J.Mol.Biol., 278, 1998
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2PC0
| Apo Wild-type HIV Protease in the open conformation | Descriptor: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | Authors: | Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D. | Deposit date: | 2007-03-29 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational flexibility in the flap domains of ligand-free HIV protease. Acta Crystallogr.,Sect.D, 63, 2007
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2PYP
| PHOTOACTIVE YELLOW PROTEIN, PHOTOSTATIONARY STATE, 50% GROUND STATE, 50% BLEACHED | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Genick, U.K, Borgstahl, G.E.O, Ng, K, Ren, Z, Pradervand, C, Burke, P, Srajer, V, Teng, T, Schildkamp, W, Mcree, D.E, Moffat, K, Getzoff, E.D. | Deposit date: | 1997-02-03 | Release date: | 1998-04-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a protein photocycle intermediate by millisecond time-resolved crystallography. Science, 275, 1997
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7FDR
| 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
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7FD1
| 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | Authors: | Stout, C.D, Stura, E.A, Mcree, D.E. | Deposit date: | 1998-12-11 | Release date: | 1998-12-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 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
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3CCX
| ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1995-03-17 | Release date: | 1995-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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2NP8
| Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors | Descriptor: | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V. | Deposit date: | 2006-10-26 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2CUA
| THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS | Descriptor: | DINUCLEAR COPPER ION, PROTEIN (CUA), ZINC ION | Authors: | Williams, P.A, Blackburn, N.J, Sanders, D, Bellamy, H, Stura, E.A, Fee, J.A, Mcree, D.E. | Deposit date: | 1999-02-18 | Release date: | 1999-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution. Nat.Struct.Biol., 6, 1999
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2AZX
| Charged and uncharged tRNAs adopt distinct conformations when complexed with human tryptophanyl-tRNA synthetase | Descriptor: | 72-MER, GLYCEROL, MAGNESIUM ION, ... | Authors: | Yang, X.L, Otero, F.J, Ewalt, K.L, Liu, J, Swairjo, M.A, Kohrer, C, RajBhandary, U.L, Skene, R.J, McRee, D.E, Schimmel, P. | Deposit date: | 2005-09-12 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis. Embo J., 25, 2006
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1ZBZ
| High-Resolution Crystal Structure of Compound I intermediate of Cytochrome c Peroxidase (CcP) | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L. | Deposit date: | 2005-04-09 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase Biochemistry, 42, 2003
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1RYC
| CYTOCHROME C PEROXIDASE W191G FROM SACCHAROMYCES CEREVISIAE | Descriptor: | BENZIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fitzgerald, M.M, Musah, R, Mcree, D.E, Goodin, D.B. | Deposit date: | 1996-05-10 | Release date: | 1996-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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1XVY
| Crystal Structure of iron-free Serratia marcescens SfuA | Descriptor: | CITRIC ACID, sfuA | Authors: | Shouldice, S.R, McRee, D.E, Dougan, D.R, Tari, L.W, Schryvers, A.B. | Deposit date: | 2004-10-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Novel Anion-independent Iron Coordination by Members of a Third Class of Bacterial Periplasmic Ferric Ion-binding Proteins J.Biol.Chem., 280, 2005
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1VKG
| Crystal Structure of Human HDAC8 complexed with CRA-19156 | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-13 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1XVX
| Crystal Structure of iron-loaded Yersinia enterocolitica YfuA | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, FE (III) ION, ... | Authors: | Shouldice, S.R, McRee, D.E, Dougan, D.R, Tari, L.W, Schryvers, A.B. | Deposit date: | 2004-10-28 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Novel Anion-independent Iron Coordination by Members of a Third Class of Bacterial Periplasmic Ferric Ion-binding Proteins J.Biol.Chem., 280, 2005
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1ZBY
| High-Resolution Crystal Structure of Native (Resting) Cytochrome c Peroxidase (CcP) | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L. | Deposit date: | 2005-04-09 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase Biochemistry, 42, 2003
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1AC4
| VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2,3,4-TRIMETHYL-1,3-THIAZOLE) | Descriptor: | 2,3,4-TRIMETHYL-1,3-THIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-12 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity J.Am.Chem.Soc., 119, 1997
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