1T67
 
 | | Crystal Structure of Human HDAC8 complexed with MS-344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, 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: | 2004-05-05 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
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1SI1
 | | Crystal Structure of Mannheimia haemolytica Ferric iron-Binding Protein A in an open conformation | | Descriptor: | FE (III) ION, iron binding protein FbpA | | Authors: | Shouldice, S.R, Skene, R.J, Dougan, D.R, Snell, G, McRee, D.E, Schryvers, A.B, Tari, L.W. | | Deposit date: | 2004-02-26 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural basis for iron binding and release by a novel class of periplasmic iron-binding proteins found in gram-negative pathogens.
J.Bacteriol., 186, 2004
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1R6U
 | | Crystal structure of an active fragment of human tryptophanyl-tRNA synthetase with cytokine activity | | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | | Authors: | Yang, X.-L, Otero, F.J, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | | Deposit date: | 2003-10-16 | | Release date: | 2004-01-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and crystal structure analysis of active site adaptations of a potent anti-angiogenic human tRNA synthetase
Structure, 15, 2007
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1RIQ
 | | The crystal structure of the catalytic fragment of the alanyl-tRNA synthetase | | Descriptor: | Alanyl-tRNA synthetase | | Authors: | Swairjo, M.A, Otero, F.J, Yang, X.-L, Lovato, M.A, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | | Deposit date: | 2003-11-17 | | Release date: | 2004-04-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Alanyl-tRNA Synthetase Crystal Structure and Design for Acceptor-Stem Recognition
Mol.Cell, 13, 2004
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1T64
 | | Crystal Structure of human HDAC8 complexed with Trichostatin A | | Descriptor: | CALCIUM ION, 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: | 2004-05-05 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
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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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1AEU
 | | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 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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1AES
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZOLE) | | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 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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1AC8
 | | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (3,4,5-TRIMETHYLTHIAZOLE) | | Descriptor: | 3,4,5-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: | 1997-02-14 | | 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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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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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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1AA4
 | | SPECIFICITY OF LIGAND BINDING IN A BURIED POLAR CAVITY OF CYTOCHROME C PEROXIDASE | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-01-22 | | Release date: | 1997-07-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 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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1CCI
 | | HOW FLEXIBLE ARE PROTEINS? TRAPPING OF A FLEXIBLE LOOP | | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E. | | Deposit date: | 1996-12-18 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 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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1AET
 | | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE) | | Descriptor: | 1-METHYLIMIDAZOLE, 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: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 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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1CCJ
 | | CONFORMER SELECTION BY LIGAND BINDING OBSERVED WITH PROTEIN CRYSTALLOGRAPHY | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E. | | Deposit date: | 1997-01-22 | | Release date: | 1997-07-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein conformer selection by ligand binding observed with crystallography.
Protein Sci., 7, 1998
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1CMQ
 | | SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B. | | Deposit date: | 1993-11-23 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase.
Biochemistry, 33, 1994
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1CMP
 | | SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE | | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B. | | Deposit date: | 1993-11-23 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase.
Biochemistry, 33, 1994
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1A2G
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1A2F
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1BBH
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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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1CCL
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