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4DTZ
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BU of 4dtz by Molmil
cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
3AWM
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BU of 3awm by Molmil
Cytochrome P450SP alpha (CYP152B1) wild-type with palmitic acid
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ...
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-03-25
Release date:2011-06-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position
J.Biol.Chem., 286, 2011
3AWP
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BU of 3awp by Molmil
Cytochrome P450SP alpha (CYP152B1) mutant F288G
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ...
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-03-25
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position.
J.Biol.Chem., 286, 2011
3AWQ
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BU of 3awq by Molmil
Cytochrome P450SP alpha (CYP152B1) mutant L78F
Descriptor: Fatty acid alpha-hydroxylase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-03-25
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position.
J.Biol.Chem., 286, 2011
4EJH
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BU of 4ejh by Molmil
Human Cytochrome P450 2A13 in complex with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK)
Descriptor: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one, Cytochrome P450 2A13, GLYCEROL, ...
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
4EGO
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BU of 4ego by Molmil
The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid
Descriptor: 1H-indole-6-carboxylic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
Deposit date:2012-03-31
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
2YCA
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BU of 2yca by Molmil
Mixed-function P450 MycG in complex with mycinamicin III in P21212 space group
Descriptor: GLYCEROL, MYCINAMICIN III, P-450-LIKE PROTEIN, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-03-12
Release date:2012-03-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y98
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BU of 2y98 by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group
Descriptor: CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-02-12
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
3B99
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BU of 3b99 by Molmil
Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605
Descriptor: (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-11-03
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
3BE0
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BU of 3be0 by Molmil
The Role of Asn 242 in P450cin
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meharenna, Y.T, Poulos, T.L.
Deposit date:2007-11-15
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The critical role of substrate-protein hydrogen bonding in the control of regioselective hydroxylation in p450cin
J.Biol.Chem., 283, 2008
4DU2
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BU of 4du2 by Molmil
cytochrome P450 BM3h-B7 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant B7
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4EJI
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BU of 4eji by Molmil
Human Cytochrome P450 2A13 in complex with two molecules of 4-(methylnitrosamino)-1-(3-puridyl)-1-butanone
Descriptor: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
4EGM
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BU of 4egm by Molmil
The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid
Descriptor: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
Deposit date:2012-03-31
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
2Z3U
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BU of 2z3u by Molmil
Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1)
Descriptor: 1,2-ETHANEDIOL, 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID, Cytochrome P450, ...
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Z3T
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BU of 2z3t by Molmil
Crystal Structure of Substrate Free Cytochrome P450 StaP (CYP245A1)
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, IMIDAZOLE, ...
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
4C28
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BU of 4c28 by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Descriptor: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2013-08-16
Release date:2014-09-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
2ZBZ
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BU of 2zbz by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T.
Deposit date:2007-10-30
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
2ZAW
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BU of 2zaw by Molmil
Crystal Structure of Ferric Cytochrome P450cam Reconstituted with 6-Methyl-6-depropionated Hemin
Descriptor: 6-METHY-6-DEPROPIONATEHEMIN, CAMPHOR, CHLORIDE ION, ...
Authors:Harada, K, Sakurai, K, Shimada, H, Tsukihara, T, Hayashi, T.
Deposit date:2007-10-11
Release date:2008-01-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Evaluation of the functional role of the heme-6-propionate side chain in cytochrome P450cam
J.Am.Chem.Soc., 130, 2008
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:2024-05-08
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
4ENH
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BU of 4enh by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Descriptor: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stout, C.D, Mast, N, Pikuleva, I.A.
Deposit date:2012-04-13
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Mol.Pharmacol., 82, 2012
4EJJ
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BU of 4ejj by Molmil
Human Cytochrome P450 2A6 in complex with nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
4CPP
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BU of 4cpp by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION
Descriptor: ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
4CKA
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BU of 4cka by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS)
Descriptor: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4EP6
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BU of 4ep6 by Molmil
Crystal structure of the XplA heme domain in complex with imidazole and PEG
Descriptor: Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ...
Authors:Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W.
Deposit date:2012-04-17
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA.
J.Biol.Chem., 287, 2012
4EGP
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BU of 4egp by Molmil
The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, GLYCEROL, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
Deposit date:2012-03-31
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012

223790

数据于2024-08-14公开中

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