6PZ1
 
 | | Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site | | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | 登録日 | 2019-07-31 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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6PYZ
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site | | 分子名称: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | 著者 | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | 登録日 | 2019-07-31 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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6PYY
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site | | 分子名称: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | 著者 | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | 登録日 | 2019-07-31 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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5TI9
 | | Crystal structure of human TDO in complex with Trp and dioxygen, Northeast Structural Genomics Consortium Target HR6161 | | 分子名称: | N'-Formylkynurenine, OXYGEN MOLECULE, PHOSPHATE ION, ... | | 著者 | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | | 登録日 | 2016-10-01 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase.
Sci Rep, 6, 2016
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5TIA
 | | Crystal structure of human TDO in complex with Trp, Northeast Structural Genomics Consortium Target HR6161 | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | | 著者 | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | | 登録日 | 2016-10-01 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.441 Å) | | 主引用文献 | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase.
Sci Rep, 6, 2016
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6DPR
 | | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, 1,2-ETHANEDIOL, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Pham, K.N, Yeh, S.R. | | 登録日 | 2018-06-09 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
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6DPQ
 | | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Pham, K.N, Yeh, S.R. | | 登録日 | 2018-06-09 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
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6MQ6
 | | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Pham, K.N, Yeh, S.R. | | 登録日 | 2018-10-09 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
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6UD5
 | | Crystal structure of human tryptophan 2,3-dioxygenase in complex with carbon monoxide and tryptophan | | 分子名称: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ... | | 著者 | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | 登録日 | 2019-09-18 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Conformational Plasticity in Human Heme-Based Dioxygenases.
J.Am.Chem.Soc., 143, 2021
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6UBP
 | | Crystal structure of a photochemical intermediate of human indoleamine 2,3-dioxygenase 1 in complex with carbon monoxide and tryptophan | | 分子名称: | CARBON MONOXIDE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Pham, K.N, Yeh, S.R. | | 登録日 | 2019-09-12 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Conformational Plasticity in Human Heme-Based Dioxygenases.
J.Am.Chem.Soc., 143, 2021
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5WMW
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | | 分子名称: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | | 登録日 | 2017-07-31 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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5WMV
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | | 分子名称: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | | 登録日 | 2017-07-31 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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5WMU
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | | 分子名称: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | | 登録日 | 2017-07-31 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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5WN8
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R. | | 登録日 | 2017-07-31 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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5WMX
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | | 分子名称: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M. | | 登録日 | 2017-07-31 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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6CXU
 | | Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | | 分子名称: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | | 登録日 | 2018-04-04 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
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6CXV
 | | Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | | 分子名称: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | | 登録日 | 2018-04-04 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
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6NKN
 | | Time-resolved SFX structure of the PR intermediate of cytochrome c oxidase at room temperature | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | 登録日 | 2019-01-07 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NMF
 | | SFX structure of reduced cytochrome c oxidase at room temperature | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | 登録日 | 2019-01-10 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NMP
 | | SFX structure of oxidized cytochrome c oxidase at room temperature | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | 登録日 | 2019-01-11 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8GBT
 | | Time-resolve SFX structure of a photoproduct of carbon monoxide complex of bovine cytochrome c oxidase | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Ishigami, I, Yeh, S.-R, Rousseau, D.L. | | 登録日 | 2023-02-28 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Detection of a Geminate Photoproduct of Bovine Cytochrome c Oxidase by Time-Resolved Serial Femtosecond Crystallography.
J.Am.Chem.Soc., 145, 2023
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8GCQ
 | | SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Ishigami, I, Yeh, S.-R, Rousseau, D.L. | | 登録日 | 2023-03-02 | | 公開日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
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2WY4
 | | Structure of bacterial globin from Campylobacter jejuni at 1.35 A resolution | | 分子名称: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SINGLE DOMAIN HAEMOGLOBIN | | 著者 | Barynin, V.V, Sedelnikova, S.E, Shepherd, M, Wu, G, Poole, R.K, Rice, D.W. | | 登録日 | 2009-11-11 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | The Single-Domain Globin from the Pathogenic Bacterium Campylobacter Jejuni: Novel D-Helix Conformation, Proximal Hydrogen Bonding that Influences Ligand Binding, and Peroxidase-Like Redox Properties.
J.Biol.Chem., 285, 2010
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7THU
 | | Structure of reduced bovine cytochrome c oxidase at 1.93 Angstrom resolution obtained by synchrotron X-rays | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Ishigami, I, Rousseau, D.L, Yeh, S.-R. | | 登録日 | 2022-01-12 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
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7TIE
 | | Structure of oxidized bovine cytochrome c oxidase at 1.90 Angstrom resolution obtained by synchrotron X-rays | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Ishigami, I, Rousseau, D.L, Yeh, S.-R. | | 登録日 | 2022-01-13 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
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