3X20
| Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 25 min | 分子名称: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | 著者 | Yamanaka, Y, Hashimoto, K, Noguchi, N, Yohda, M, Odaka, M. | 登録日 | 2014-12-03 | 公開日 | 2016-01-27 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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3X28
| Crystal structure of Nitrile Hydratase mutant bR56K | 分子名称: | CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ... | 著者 | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | 登録日 | 2014-12-12 | 公開日 | 2015-12-23 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Reaction intermediate of nitrile hydratase determined by time-resolved crystallography reveals the cysteine-sulfenic acid ligand to be a catalytic nucleophile To be Published
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2D0Q
| Complex of Fe-type NHase with Cyclohexyl isocyanide, photo-activated for 1hr at 277K | 分子名称: | CYCLOHEXYL ISOCYANIDE, FE (III) ION, MAGNESIUM ION, ... | 著者 | Nojiri, M, Kawano, Y, Hashimoto, K, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2005-08-05 | 公開日 | 2006-02-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | X-ray snap shots of Inhibitor Binding Process in Photo-reactive Nitrile Hydratase To be Published
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2CZ7
| Fe-type NHase photo-activated for 75min at 105K | 分子名称: | FE (III) ION, MAGNESIUM ION, NITRIC OXIDE, ... | 著者 | Nojiri, M, Kawano, Y, Hashimoto, K, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2005-07-11 | 公開日 | 2006-01-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Active Center Structures of Photo-reactive Nitrile Hydratase during its Photo-activation Process To be Published
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2CZ6
| Complex of Inactive Fe-type NHase with Cyclohexyl isocyanide | 分子名称: | CYCLOHEXYL ISOCYANIDE, FE (III) ION, MAGNESIUM ION, ... | 著者 | Nojiri, M, Kawano, Y, Hashimoto, K, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2005-07-11 | 公開日 | 2006-01-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | x-ray snap shots of inhibitor binding process in photo-reactive nitrile hydratase To be Published
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3A8G
| Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetonitrile | 分子名称: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | 著者 | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | 登録日 | 2009-10-06 | 公開日 | 2010-04-14 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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3A8M
| Crystal structure of Nitrile Hydratase mutant Y72F complexed with Trimethylacetonitrile | 分子名称: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | 著者 | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | 登録日 | 2009-10-06 | 公開日 | 2010-04-14 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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3A8L
| Crystal structure of photo-activation state of Nitrile Hydratase mutant S113A | 分子名称: | FE (III) ION, Nitrile hydratase subunit alpha, Nitrile hydratase subunit beta | 著者 | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | 登録日 | 2009-10-06 | 公開日 | 2010-04-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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3A8H
| Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetamide | 分子名称: | 2,2-dimethylpropanamide, FE (III) ION, Nitrile hydratase subunit alpha, ... | 著者 | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | 登録日 | 2009-10-06 | 公開日 | 2010-04-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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3A8O
| Crystal structure of Nitrile Hydratase complexed with Trimethylacetamide | 分子名称: | 2,2-dimethylpropanamide, FE (III) ION, Nitrile hydratase subunit alpha, ... | 著者 | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | 登録日 | 2009-10-07 | 公開日 | 2010-04-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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2YW3
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2ZCF
| Mutational study on Alpha-Gln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771 | 分子名称: | FE (III) ION, MAGNESIUM ION, Nitrile hydratase subunit alpha, ... | 著者 | Takarada, H, Kawano, Y, Hashimoto, K, Nakayama, H, Ueda, S, Yohda, M, Kamiya, N, Dohmae, N, Maeda, M, Odaka, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-11-08 | 公開日 | 2007-11-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Mutational study on alphaGln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771 Biosci.Biotechnol.Biochem., 70, 2006
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2YW4
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4HY4
| Crystal structure of cIAP1 BIR3 bound to T3170284 | 分子名称: | (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Dougan, D.R, Mol, C.D, Snell, G.P. | 登録日 | 2012-11-12 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | 主引用文献 | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic. J.Med.Chem., 56, 2013
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4HY5
| Crystal structure of cIAP1 BIR3 bound to T3256336 | 分子名称: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Dougan, D.R, Snell, G.P. | 登録日 | 2012-11-13 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic. J.Med.Chem., 56, 2013
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4HY0
| Crystal structure of XIAP BIR3 with T3256336 | 分子名称: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Snell, G.S, Dougan, D.R. | 登録日 | 2012-11-12 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic. J.Med.Chem., 56, 2013
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7WWT
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7WX1
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7WX0
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7WWY
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4MU7
| Crystal structure of cIAP1 BIR3 bound to T3450325 | 分子名称: | (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Snell, G.P, Dougan, D.R. | 登録日 | 2013-09-20 | 公開日 | 2013-12-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
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8IR8
| XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 1-microsecond delay | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Li, H, Suga, M, Shen, J.R. | 登録日 | 2023-03-17 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRA
| XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-microsecond delay | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Li, H, Suga, M, Shen, J.R. | 登録日 | 2023-03-17 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IR9
| XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 30-microsecond delay | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Li, H, Suga, M, Shen, J.R. | 登録日 | 2023-03-17 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRE
| XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-nanosecond delay | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Li, H, Suga, M, Shen, J.R. | 登録日 | 2023-03-17 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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