5EFU
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4YSF
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3WNT
| Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNS
| Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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1NGJ
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGD
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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4KWL
| Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound | Descriptor: | 3-disulfanylpropanoic acid, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L. | Deposit date: | 2013-05-24 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase. Biochemistry, 52, 2013
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4KWK
| Rat cysteine dioxygenase with cysteine persulfide bound to active site iron | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, S-MERCAPTOCYSTEINE | Authors: | Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L. | Deposit date: | 2013-05-24 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase. Biochemistry, 52, 2013
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4KWJ
| Resting state of rat cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION | Authors: | Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L. | Deposit date: | 2013-05-24 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase. Biochemistry, 52, 2013
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4OSF
| 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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4OYQ
| (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | To be published To be published
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1G3I
| CRYSTAL STRUCTURE OF THE HSLUV PROTEASE-CHAPERONE COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-DEPENDENT HSLU PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV | Authors: | Sousa, M.C, Trame, C.B, Tsuruta, H, Wilbanks, S.M, Reddy, V.S, McKay, D.B. | Deposit date: | 2000-10-24 | Release date: | 2000-11-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Crystal and solution structures of an HslUV protease-chaperone complex. Cell(Cambridge,Mass.), 103, 2000
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1NGH
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGB
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGA
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGG
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGE
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGC
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGI
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | CALCIUM ION, HEAT-SHOCK COGNATE 70 kD PROTEIN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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1NGF
| STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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3HSC
| THREE-DIMENSIONAL STRUCTURE OF THE ATPASE FRAGMENT OF A 70K HEAT-SHOCK COGNATE PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 7OKD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Deluca-Flaherty, C.R, Mckay, D.B. | Deposit date: | 1995-03-24 | Release date: | 1995-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Three-dimensional structure of the ATPase fragment of a 70K heat-shock cognate protein. Nature, 346, 1990
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2BUP
| T13G Mutant of the ATPASE fragment of Bovine HSC70 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Sousa, M.C, Mckay, D.B. | Deposit date: | 1998-09-08 | Release date: | 1998-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The hydroxyl of threonine 13 of the bovine 70-kDa heat shock cognate protein is essential for transducing the ATP-induced conformational change. Biochemistry, 37, 1998
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4WMZ
| S. cerevisiae CYP51 complexed with fluconazole in the active site | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Wilbanks, S.M, Monk, B.C, Tyndall, J.D.A. | Deposit date: | 2014-10-09 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 59, 2015
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1KAY
| 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71A MUTANT | Descriptor: | 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | O'Brien, M.C, Flaherty, K.M, Mckay, D.B. | Deposit date: | 1996-04-15 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis. J.Biol.Chem., 271, 1996
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1KAZ
| 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71E MUTANT | Descriptor: | 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | O'Brien, M.C, Flaherty, K.M, Mckay, D.B. | Deposit date: | 1996-04-15 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis. J.Biol.Chem., 271, 1996
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