4U0J
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with 1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, refined with new ligand restraints | Descriptor: | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-11 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4U0K
| Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide | Descriptor: | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-11 | Release date: | 2014-07-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4TZT
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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1F4U
| THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS | Descriptor: | CYTOCHROME P450 119, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2000-06-09 | Release date: | 2000-10-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus. J.Biol.Chem., 275, 2000
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1F4T
| THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS WITH 4-PHENYLIMIDAZOLE BOUND | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 119, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2000-06-09 | Release date: | 2000-10-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus. J.Biol.Chem., 275, 2000
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1GU9
| Crystal Structure of Mycobacterium tuberculosis Alkylperoxidase AhpD | Descriptor: | ALKYLHYDROPEROXIDASE D | Authors: | Nunn, C.M, Djordjevic, S, Hillas, P.J, Nishida, C, Ortiz de Montellano, P.R. | Deposit date: | 2002-01-24 | Release date: | 2002-02-14 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of Mycobacterium Tuberculosis Alkylhydroperoxidase Ahpd, a Potential Target for Antitubercular Drug Design J.Biol.Chem., 277, 2002
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1N45
| X-RAY CRYSTAL STRUCTURE OF HUMAN HEME OXYGENASE-1 (HO-1) IN COMPLEX WITH ITS SUBSTRATE HEME | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, heme oxygenase 1 | Authors: | Schuller, D.J, Wilks, A, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2002-10-30 | Release date: | 2002-11-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1. J. Biol. Chem., 278, 2003
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1N3U
| Crystal structure of human heme oxygenase 1 (HO-1) in complex with its substrate heme, crystal form B | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, heme oxygenase 1 | Authors: | Lad, L, Schuller, D.J, Friedman, J.P, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2002-10-29 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1 J.Biol.Chem., 278, 2003
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2NSD
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1XJZ
| Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1 | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2004-09-26 | Release date: | 2005-10-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity. J.Biol.Inorg.Chem., 10, 2005
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1XK3
| NADPH- and Ascorbate-Supported Heme Oxygenase Reactions are Distinct. Regiospecificity of Heme Cleavage by the R183E Mutant | Descriptor: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, J, Lad, L, Poulos, T.L, Ortiz de montellano, P.R. | Deposit date: | 2004-09-26 | Release date: | 2004-11-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Regiospecificity determinants of human heme oxygenase: differential NADPH- and ascorbate-dependent heme cleavage by the R183E mutant. J.Biol.Chem., 280, 2005
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1XK2
| NADPH- and Ascorbate-Supported Heme Oxygenase Reactions are Distinct. Regiospecificity of Heme Cleavage by the R183E Mutant | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, J, Lad, L, Poulos, T.L, Ortiz de montellano, P.R. | Deposit date: | 2004-09-26 | Release date: | 2004-11-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Regiospecificity determinants of human heme oxygenase: differential NADPH- and ascorbate-dependent heme cleavage by the R183E mutant. J.Biol.Chem., 280, 2005
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1XK0
| Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1 | Descriptor: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Koshkin, A, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2004-09-26 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal structures of the G139A, G139A-NO and G143H mutants of human heme oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity. J.Biol.Inorg.Chem., 10, 2005
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1XK1
| Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1 | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2004-09-26 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structures of the G139A, G139A-NO and G143H mutants of human heme oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity. J.Biol.Inorg.Chem., 10, 2005
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1LW1
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1ME5
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1NI6
| Comparisions of the Heme-Free and-Bound Crystal Structures of Human Heme Oxygenase-1 | Descriptor: | CHLORIDE ION, Heme oxygenase 1, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Lad, L, Schuller, D.J, Friedman, J, Li, H, Shimizu, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2002-12-21 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1 J.Biol.Chem., 278, 2003
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3ZBY
| Ligand-free structure of CYP142 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), P450 HEME-THIOLATE PROTEIN, ... | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | Deposit date: | 2012-11-13 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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4APY
| Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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2RFC
| Ligand bound (4-phenylimidazole) Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R. | Deposit date: | 2007-09-28 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus. Biochemistry, 47, 2008
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2RFB
| Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R. | Deposit date: | 2007-09-28 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus. Biochemistry, 47, 2008
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2UVN
| Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis | Descriptor: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, CYTOCHROME P450 130, FLUORIDE ION, ... | Authors: | Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2007-03-12 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs J.Biol.Chem., 283, 2008
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2UUQ
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2VZW
| X-ray structure of the heme-bound GAF domain of sensory histidine kinase DosT of Mycobacterium tuberculosis | Descriptor: | ACETATE ION, OXYGEN MOLECULE, PROBABLE HISTIDINE KINASE RESPONSE REGULATOR, ... | Authors: | Podust, L.M, Ioanoviciu, A, Ortiz de Montellano, P.R. | Deposit date: | 2008-08-06 | Release date: | 2009-03-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2.3 A X-Ray Structure of the Heme-Bound Gaf Domain of Sensory Histidine Kinase Dost of Mycobacterium Tuberculosis. Biochemistry, 47, 2008
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4TRJ
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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