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PDB: 857 results

4K9T
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Complex of CYP3A4 with a desoxyritonavir analog
Descriptor: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9X
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Complex of human CYP3A4 with a desoxyritonavir analog
Descriptor: 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9W
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Complex of human CYP3A4 with a desoxyritonavir analog
Descriptor: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9U
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BU of 4k9u by Molmil
Complex of human CYP3A4 with a desoxyritonavir analog
Descriptor: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
1OQR
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Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L.
Deposit date:2003-03-10
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida
J.MOL.BIOL., 333, 2003
1OYL
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BU of 1oyl by Molmil
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-05
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OQQ
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Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L.
Deposit date:2003-03-10
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida
J.MOL.BIOL., 333, 2003
1OZL
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BU of 1ozl by Molmil
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-09
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OZW
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BU of 1ozw by Molmil
Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-09
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OZR
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BU of 1ozr by Molmil
Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-09
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OYK
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BU of 1oyk by Molmil
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-04
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1NSE
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BU of 1nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:1998-05-14
Release date:1999-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
1ML2
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BU of 1ml2 by Molmil
Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase with Zn(II)-(20-oxo-Protoporphyrin IX)
Descriptor: 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II), Cytochrome c Peroxidase
Authors:Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L.
Deposit date:2002-08-29
Release date:2003-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
1MMW
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BU of 1mmw by Molmil
Rat neuronal NOS heme domain with vinyl-L-NIO bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE, ...
Authors:Bretscher, L.E, Li, H, Poulos, T.L, Griffith, O.W.
Deposit date:2002-09-04
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization and kinetics of nitric-oxide synthase inhibition by novel N5-(iminoalkyl)- and N5-(iminoalkenyl)-ornithines
J.Biol.Chem., 278, 2003
1PKF
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BU of 1pkf by Molmil
Crystal Structure of Epothilone D-bound Cytochrome P450epoK
Descriptor: EPOTHILONE D, PROTOPORPHYRIN IX CONTAINING FE, cytochrome p450EpoK
Authors:Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-06-05
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Epothilone D-bound, Epothilone B-bound, and Substrate-free Forms of Cytochrome P450epoK
J.Biol.Chem., 278, 2003
1Q1W
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BU of 1q1w by Molmil
Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putidaredoxin reductase
Authors:Sevrioukova, I.F, Li, H, Poulos, T.L.
Deposit date:2003-07-22
Release date:2004-02-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of putidaredoxin reductase from Pseudomonas putida, the final structural component of the cytochrome P450cam monooxygenase.
J.Mol.Biol., 336, 2004
1Q5D
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BU of 1q5d by Molmil
Epothilone B-bound Cytochrome P450epoK
Descriptor: 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, P450 epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-08-06
Release date:2003-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK
J.Biol.Chem., 278, 2003
1Q5E
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BU of 1q5e by Molmil
Substrate-free Cytochrome P450epoK
Descriptor: P450 epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-08-06
Release date:2003-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK
J.Biol.Chem., 278, 2003
1Q1R
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BU of 1q1r by Molmil
Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putidaredoxin reductase
Authors:Sevrioukova, I.F, Li, H, Poulos, T.L.
Deposit date:2003-07-22
Release date:2004-02-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of putidaredoxin reductase from Pseudomonas putida, the final structural component of the cytochrome P450cam monooxygenase.
J.Mol.Biol., 336, 2004
1OZE
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BU of 1oze by Molmil
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1:Catalytic Implications
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-08
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1MK8
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BU of 1mk8 by Molmil
Crystal Structure of a Mutant Cytochrome c Peroxidase showing a Novel Trp-Tyr Covalent Cross-link
Descriptor: Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L.
Deposit date:2002-08-28
Release date:2003-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
1MKQ
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BU of 1mkq by Molmil
Crystal Structure of the Mutant Variant of Cytochrome c Peroxidase in the 'Open' Uncross-linked form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L.
Deposit date:2002-08-29
Release date:2003-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
1MMV
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BU of 1mmv by Molmil
Rat neuronal NOS heme domain with NG-propyl-L-arginine bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-PROPYL-L-ARGININE, ...
Authors:Bretscher, L.E, Li, H, Poulos, T.L, Griffith, O.W.
Deposit date:2002-09-04
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization and kinetics of nitric-oxide synthase inhibition by novel N5-(iminoalkyl)- and N5-(iminoalkenyl)-ornithines
J.Biol.Chem., 278, 2003
1N97
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BU of 1n97 by Molmil
Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27
Descriptor: 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L.
Deposit date:2002-11-22
Release date:2003-02-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus
J.Biol.Chem., 278, 2003
5UO4
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BU of 5uo4 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017

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