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1DMK
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BU of 1dmk by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE
Descriptor: 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
1DMJ
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE
Descriptor: 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
5A1P
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BU of 5a1p by Molmil
Crystal structure of cytochrome P450 3A4 bound to progesterone and citrate
Descriptor: CITRIC ACID, CYTOCHROME P450 3A4, PROGESTERONE, ...
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2015-05-04
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anion-Dependent Stimulation of Cyp3A4 Monooxygenase.
Biochemistry, 54, 2015
5TE8
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BU of 5te8 by Molmil
Crystal structure of the midazolam-bound human CYP3A4
Descriptor: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2016-09-20
Release date:2016-12-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for regiospecific midazolam oxidation by human cytochrome P450 3A4.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4C9P
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BU of 4c9p by Molmil
Structure of camphor bound T260A mutant of CYP101D1
Descriptor: CAMPHOR, CYTOCHROME P450, GLYCEROL, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9K
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BU of 4c9k by Molmil
Structure of Camphor and Hydroxycamphor bound wild type CYP101D1
Descriptor: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
4C9N
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BU of 4c9n by Molmil
Structure of camphor and hydroxycamphor bound D259N mutant of CYP101D1
Descriptor: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9M
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BU of 4c9m by Molmil
Structure of substrate free, glycerol bound wild type CYP101D1
Descriptor: CYTOCHROME P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9O
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BU of 4c9o by Molmil
Structure of Cyanide and Camphor bound D259N mutant of CYP101D1
Descriptor: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
4C9L
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BU of 4c9l by Molmil
Structure of Cyanide and Camphor bound wild type CYP101D1
Descriptor: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4D75
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BU of 4d75 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
Descriptor: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2014-11-19
Release date:2015-09-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D6Z
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BU of 4d6z by Molmil
Cytochrome P450 3A4 bound to imidazole and an inhibitor
Descriptor: CYTOCHROME P450 3A4, GLYCEROL, IMIDAZOLE, ...
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2014-11-19
Release date:2015-09-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D78
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BU of 4d78 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
Descriptor: CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2014-11-21
Release date:2015-09-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D7D
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BU of 4d7d by Molmil
Cytochrome P450 3A4 bound to an inhibitor
Descriptor: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2014-11-22
Release date:2015-09-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016

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