4U72
 
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | Deposit date: | 2014-07-30 | | Release date: | 2015-09-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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4U74
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | Deposit date: | 2014-07-30 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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1V5H
 | | Crystal Structure of Human Cytoglobin (Ferric Form) | | Descriptor: | Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugimoto, H, Makino, M, Sawai, H, Kawada, N, Yoshizato, K, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-11-23 | | Release date: | 2004-06-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of human cytoglobin for ligand binding.
J.Mol.Biol., 339, 2004
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1DPT
 | | D-DOPACHROME TAUTOMERASE | | Descriptor: | D-DOPACHROME TAUTOMERASE | | Authors: | Sugimoto, H, Taniguchi, M, Nakagawa, A, Tanaka, I. | | Deposit date: | 1998-05-11 | | Release date: | 1999-03-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of human D-dopachrome tautomerase, a homologue of macrophage migration inhibitory factor, at 1.54 A resolution.
Biochemistry, 38, 1999
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2D0U
 | | Crystal structure of cyanide bound form of human indoleamine 2,3-dioxygenase | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CYANIDE ION, Indoleamine 2,3-dioxygenase, ... | | Authors: | Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-08-08 | | Release date: | 2006-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of human indoleamine 2,3-dioxygenase: catalytic mechanism of O2 incorporation by a heme-containing dioxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2D0T
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase, ... | | Authors: | Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-08-08 | | Release date: | 2006-01-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human indoleamine 2,3-dioxygenase: catalytic mechanism of O2 incorporation by a heme-containing dioxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2ZBY
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) | | Descriptor: | 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 (1.6 Å) | | Cite: | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
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2ZBZ
 | | 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
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2ZBX
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (wild type) with imidazole bound | | Descriptor: | Cytochrome P450-SU1, IMIDAZOLE, 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: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
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6QWG
 | | Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | Authors: | Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L. | | Deposit date: | 2019-03-05 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
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8HKJ
 | | Crystal structure of the CYP102A5 haem Domain isolated from Bacillus cereus | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Stanfield, J.K, Onoda, H, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-11-27 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily.
J.Inorg.Biochem., 245, 2023
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3CV9
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,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: | Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. | | Deposit date: | 2008-04-18 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1
Biochemistry, 47, 2008
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3CV8
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84F mutant) | | Descriptor: | Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. | | Deposit date: | 2008-04-18 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1
Biochemistry, 47, 2008
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6LL8
 | | Type II inorganic pyrophosphatase (PPase) from the psychrophilic bacterium Shewanella sp. AS-11, Mg-PNP form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, FLUORIDE ION, ... | | Authors: | Horitani, M, Kusubayashi, K, Oshima, K, Yato, A, Sugimoto, H, Watanabe, K. | | Deposit date: | 2019-12-21 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | X-ray Crystallography and Electron Paramagnetic Resonance Spectroscopy Reveal Active Site Rearrangement of Cold-Adapted Inorganic Pyrophosphatase.
Sci Rep, 10, 2020
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6LL7
 | | Type II inorganic pyrophosphatase (PPase) from the psychrophilic bacterium Shewanella sp. AS-11, Mn-activated form | | Descriptor: | CALCIUM ION, Inorganic pyrophosphatase, MANGANESE (II) ION | | Authors: | Horitani, M, Kusubayashi, K, Oshima, K, Yato, A, Sugimoto, H, Watanabe, K. | | Deposit date: | 2019-12-21 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray Crystallography and Electron Paramagnetic Resonance Spectroscopy Reveal Active Site Rearrangement of Cold-Adapted Inorganic Pyrophosphatase.
Sci Rep, 10, 2020
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7ZMJ
 | | SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state | | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ... | | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | | Deposit date: | 2022-04-19 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
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7WY4
 | | Structure of the CYP102A1 F87A Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY3
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY2
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY1
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JS5
 | | Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | Deposit date: | 2023-06-19 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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8JS7
 | | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme | | Descriptor: | GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | Deposit date: | 2023-06-19 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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8JS6
 | | Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme | | Descriptor: | CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | Deposit date: | 2023-06-19 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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3O0R
 | | Crystal structure of nitric oxide reductase from Pseudomonas aeruginosa in complex with antibody fragment | | Descriptor: | CALCIUM ION, FE (III) ION, HEME C, ... | | Authors: | Hino, T, Matsumoto, Y, Nagano, S, Sugimoto, H, Fukumori, Y, Murata, T, Iwata, S, Shiro, Y. | | Deposit date: | 2010-07-20 | | Release date: | 2010-12-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of biological N2O generation by bacterial nitric oxide reductase
Science, 330, 2010
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5GUX
 | | Cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with xenon | | Descriptor: | Antibody fab fragment heavy chain, Antibody fab fragment light chain, CALCIUM ION, ... | | Authors: | Ishii, S, Terasaka, E, Sugimoto, H, Shiro, Y, Tosha, T. | | Deposit date: | 2016-08-31 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Dynamics of nitric oxide controlled by protein complex in bacterial system.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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