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PDB: 176 results

5XA3
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BU of 5xa3 by Molmil
Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
Descriptor: Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ...
Authors:Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
5XHL
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BU of 5xhl by Molmil
Crystal Structure of HasAp with Gallium Phthalocyanine
Descriptor: Heme acquisition protein HasAp, Phthalocyanine containing GA
Authors:Shoji, O, Shisaka, Y, Iwai, Y, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-04-21
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of HasAp with Gallium Phthalocyanine
to be published
3VM4
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BU of 3vm4 by Molmil
Cytochrome P450SP alpha (CYP152B1) in complex with (R)-ibuprophen
Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, ...
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-12-08
Release date:2012-05-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Chiral-substrate-assisted stereoselective epoxidation catalyzed by H2O2-dependent cytochrome P450SP alpha
Chem Asian J, 7, 2012
3W8O
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BU of 3w8o by Molmil
Crystal Structure of HasAp with Iron Phthalocyanine
Descriptor: Heme acquisition protein HasAp, [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron
Authors:Shirataki, C, Shoji, O, Terada, M, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2013-03-20
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes
Angew.Chem.Int.Ed.Engl., 53, 2014
3W8M
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BU of 3w8m by Molmil
Crystal Structure of HasAp with Iron Salophen
Descriptor: 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, Heme acquisition protein HasAp
Authors:Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2013-03-19
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes
Angew.Chem.Int.Ed.Engl., 53, 2014
5Y8B
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BU of 5y8b by Molmil
Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in apo form
Descriptor: MAGNESIUM ION, Periplasmic binding protein
Authors:Rahman, M.M, Naoe, Y, Nakamura, N, Doi, A, Shiro, Y, Sugimoto, H.
Deposit date:2017-08-20
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for binding and transfer of heme in bacterial heme-acquisition systems
Proteins, 85, 2017
3AGT
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BU of 3agt by Molmil
Hemerythrin-like domain of DcrH (met)
Descriptor: CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH
Authors:Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T.
Deposit date:2010-04-06
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH
to be published
3AGU
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BU of 3agu by Molmil
Hemerythrin-like domain of DcrH (semimet-R)
Descriptor: CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH
Authors:Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T.
Deposit date:2010-04-06
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH
to be published
3WAH
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BU of 3wah by Molmil
Crystal Structure of HasAp with Iron MesoporphyrinIX
Descriptor: Heme acquisition protein HasAp, Mesoheme
Authors:Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2013-05-02
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes
Angew.Chem.Int.Ed.Engl., 53, 2014
3WAQ
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BU of 3waq by Molmil
Hemerythrin-like domain of DcrH I119E mutant (met)
Descriptor: Hemerythrin-like domain protein DcrH, MU-OXO-DIIRON
Authors:Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T.
Deposit date:2013-05-07
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin
Inorg.Chem., 52, 2013
7D0T
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BU of 7d0t by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine
Descriptor: (1~{S})-2,3-dihydro-1~{H}-inden-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-11
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine at 1.74 Angstrom Resolution
To Be Published
3A1L
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BU of 3a1l by Molmil
Crystal Structure of 11,11'-Dichlorochromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1)
Descriptor: 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2009-04-09
Release date:2009-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules
J.Am.Chem.Soc., 131, 2009
7E46
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BU of 7e46 by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-(-)-1-Phenylethylamine
Descriptor: (1S)-1-phenylethanamine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2021-02-10
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-(-)-1-Phenylethylamine at 1.91 Angstrom Resolution
To Be Published
7CZI
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BU of 7czi by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine
Descriptor: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-08
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine at 1.64 Angstrom Resolution
To Be Published
7D0U
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BU of 7d0u by Molmil
Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ETHANAMINE, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-11
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine at 1.68 Angstrom Resolution
To Be Published
7D1F
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BU of 7d1f by Molmil
Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-14
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine at 1.45 Angstrom Resolution
To Be Published
7CX6
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BU of 7cx6 by Molmil
Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine
Descriptor: (1R)-1-phenylethanamine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-01
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine at 1.69 Angstrom Resolution
To Be Published
7CVR
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BU of 7cvr by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine
Descriptor: (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-26
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution
To Be Published
7CX8
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BU of 7cx8 by Molmil
Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine
Descriptor: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-01
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution
To Be Published
7CKN
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BU of 7ckn by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine
Descriptor: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-07-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine at 1.55 Angstrom Resolution
To Be Published
7COO
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BU of 7coo by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine
Descriptor: (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CYCLOHEXYLAMMONIUM ION, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine at 1.49 Angstrom Resolution
To Be Published
7CON
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BU of 7con by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine
Descriptor: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, 3-AMINOPROPANE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-{2-[4-(trifluoromethoxy)phenoxy]}acetoyl-L-phenylalanine in complex with n-propylamine at 1.46 Angstrom Resolution
To Be Published

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