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7VF8
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BU of 7vf8 by Molmil
Crystal Structure of HasAp with Co-5-octaethyloxaporphyrinium cation
分子名称: CITRIC ACID, Co-5-octaethyloxaporphyrinium cation, DI(HYDROXYETHYL)ETHER, ...
著者Takiguchi, A, Sakakibara, E, Sugimoto, H, Shoji, O, Shinokubo, H.
登録日2021-09-10
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of HasAp with Co-5-octaethyloxaporphyrinium cation
To Be Published
7VF7
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BU of 7vf7 by Molmil
Crystal Structure of HasAp with Co-octaethylporphyrin
分子名称: Co-octaethylporphyrin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Takiguchi, A, Sakakibara, E, Sugimoto, H, Shoji, O, Shinokubo, H.
登録日2021-09-10
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of HasAp with Co-octaethylporphyrin
To Be Published
6JMW
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BU of 6jmw by Molmil
Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ...
著者Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-03-13
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JLV
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Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-03-07
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JMH
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BU of 6jmh by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-03-10
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JO1
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BU of 6jo1 by Molmil
Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine
分子名称: (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-03-19
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JS8
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BU of 6js8 by Molmil
Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-04-07
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JLG
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BU of 6jlg by Molmil
Crystal Structure of HasAp with Co-9,10,19,20-Tetraphenylporphycene
分子名称: GLYCEROL, Heme acquisition protein HasA, PHOSPHATE ION, ...
著者Sakakibara, E, Shisaka, Y, Onoda, H, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-03-05
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly malleable haem-binding site of the haemoprotein HasA permits stable accommodation of bulky tetraphenylporphycenes.
Rsc Adv, 9, 2019
6JVC
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BU of 6jvc by Molmil
Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-04-16
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6K58
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BU of 6k58 by Molmil
Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-05-28
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
5XHJ
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BU of 5xhj by Molmil
Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan
分子名称: 5-cyclohexylpentanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Suzuki, K, Shoji, O, Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2017-04-21
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Control of stereoselectivity of benzylic hydroxylation catalysed by wild-type cytochrome P450BM3 using decoy molecules
CATALYSIS SCIENCE AND TECHNOLOGY, 7, 2017
5YHJ
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BU of 5yhj by Molmil
Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid
分子名称: Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE
著者Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2017-09-28
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids
Catalysis Science And Technology, 2017
5ZLH
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BU of 5zlh by Molmil
Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX
著者Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y.
登録日2018-03-28
公開日2018-08-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
5ZIS
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BU of 5zis by Molmil
Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX
著者Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y.
登録日2018-03-17
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
3VM4
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BU of 3vm4 by Molmil
Cytochrome P450SP alpha (CYP152B1) in complex with (R)-ibuprophen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, ...
著者Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2011-12-08
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
分子名称: Heme acquisition protein HasAp, [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron
著者Shirataki, C, Shoji, O, Terada, M, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2013-03-20
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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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Crystal Structure of HasAp with Iron Salophen
分子名称: 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, Heme acquisition protein HasAp
著者Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2013-03-19
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes
Angew.Chem.Int.Ed.Engl., 53, 2014
3WSP
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BU of 3wsp by Molmil
Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan
分子名称: Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan, ...
著者Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2014-03-20
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Activation of Wild-type Cytochrome P450BM3 by the Next Generation of Decoy Molecules: Enhanced Hydroxylation of Gaseous Alkanes and Crystallographic Evidence.
ACS CATALYSIS, 5, 2015
3WAH
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Crystal Structure of HasAp with Iron MesoporphyrinIX
分子名称: Heme acquisition protein HasAp, Mesoheme
著者Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2013-05-02
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes
Angew.Chem.Int.Ed.Engl., 53, 2014
7DVO
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BU of 7dvo by Molmil
Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL
分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
著者Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y.
登録日2021-01-14
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EMT
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Crystal Structure of the HasAp V37G Mutant Capturing Iron Tetraphenylporphyrin
分子名称: Heme acquisition protein HasAp, [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron
著者Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O.
登録日2021-04-14
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
7EMW
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Crystal Structure of the HasAp V37G/K59Q Mutant Capturing Iron Tetraphenylporphyrin
分子名称: GLYCEROL, Heme acquisition protein HasAp, [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron
著者Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O.
登録日2021-04-14
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
7EMV
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Crystal Structure of the HasAp V37G Mutant Capturing Iron-5,10,15-Triphenylporphyrin
分子名称: 5,10,15-Triphenylporphyrin cpntaining FE, GLYCEROL, Heme acquisition protein HasAp, ...
著者Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O.
登録日2021-04-14
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
7EMS
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Crystal Structure of the HasAp L85A Mutant Capturing Iron Tetraphenylporphyrin
分子名称: GLYCEROL, Heme acquisition protein HasAp, [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron
著者Shisaka, Y, Sugimoto, H, Shoji, O.
登録日2021-04-14
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
7EMU
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Crystal Structure of the HasAp V37G Mutant Capturing Manganese Tetraphenylporphyrin
分子名称: GLYCEROL, Heme acquisition protein HasAp, Mn-5,10,15,20-Tetraphenylporphyrin
著者Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O.
登録日2021-04-14
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022

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