7QZ0
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![BU of 7qz0 by Molmil](/molmil-images/mine/7qz0) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 83 | 分子名称: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-30 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QZI
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![BU of 7qzi by Molmil](/molmil-images/mine/7qzi) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113 | 分子名称: | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-31 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QVT
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![BU of 7qvt by Molmil](/molmil-images/mine/7qvt) | BAZ2A bromodomain in complex with picolinamide derivative fragment 13 | 分子名称: | 1,2-ETHANEDIOL, 4-piperidin-4-yloxypyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-23 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QXL
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![BU of 7qxl by Molmil](/molmil-images/mine/7qxl) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77 | 分子名称: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYE
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![BU of 7qye by Molmil](/molmil-images/mine/7qye) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78 | 分子名称: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-28 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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1DKQ
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![BU of 1dkq by Molmil](/molmil-images/mine/1dkq) | CRYSTAL STRUCTURE OF PHYTATE COMPLEX ESCHERICHIA COLI PHYTASE AT PH 5.0. PHYTATE IS BOUND WITH ITS 3-PHOSPHATE IN THE ACTIVE SITE. HG2+ CATION ACTS AS AN INTERMOLECULAR BRIDGE | 分子名称: | INOSITOL HEXAKISPHOSPHATE, MERCURY (II) ION, PHYTASE | 著者 | Lim, D, Golovan, S, Forsberg, C.W, Jia, Z. | 登録日 | 1999-12-08 | 公開日 | 2000-08-03 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structures of Escherichia coli phytase and its complex with phytate. Nat.Struct.Biol., 7, 2000
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1DKP
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![BU of 1dkp by Molmil](/molmil-images/mine/1dkp) | CRYSTAL STRUCTURE OF PHYTATE COMPLEX OF ESCHERICHIA COLI PHYTASE AT PH 6.6. PHYTATE IS BOUND WITH ITS 3-PHOSPHATE IN THE ACTIVE SITE. HG2+ CATION ACTS AS AN INTERMOLECULAR BRIDGE | 分子名称: | INOSITOL HEXAKISPHOSPHATE, MERCURY (II) ION, PHYTASE | 著者 | Lim, D, Golovan, S, Forsberg, C.W, Jia, Z. | 登録日 | 1999-12-08 | 公開日 | 2000-08-03 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Crystal structures of Escherichia coli phytase and its complex with phytate. Nat.Struct.Biol., 7, 2000
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1XO5
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![BU of 1xo5 by Molmil](/molmil-images/mine/1xo5) | Crystal structure of CIB1, an EF-hand, integrin and kinase-binding protein | 分子名称: | CALCIUM ION, Calcium and integrin-binding protein 1 | 著者 | Gentry, H.R, Singer, A.U, Betts, L, Yang, C, Ferrara, J.D, Parise, L.V, Sondek, J. | 登録日 | 2004-10-05 | 公開日 | 2004-12-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural and Biochemical Characterization of CIB1 Delineates a New Family of EF-hand-containing Proteins J.Biol.Chem., 280, 2005
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6L4O
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![BU of 6l4o by Molmil](/molmil-images/mine/6l4o) | Crystal structure of API5-FGF2 complex | 分子名称: | Apoptosis inhibitor 5, Fibroblast growth factor 2 | 著者 | Lee, B.I, Bong, S.M. | 登録日 | 2019-10-18 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Regulation of mRNA export through API5 and nuclear FGF2 interaction. Nucleic Acids Res., 48, 2020
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6KYD
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![BU of 6kyd by Molmil](/molmil-images/mine/6kyd) | Structure of the R217A mutant of Clostridium difficile sortase B | 分子名称: | Putative peptidase C60B, sortase B | 著者 | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | 登録日 | 2019-09-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity. J.Biol.Chem., 295, 2020
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8EOB
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8EWP
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![BU of 8ewp by Molmil](/molmil-images/mine/8ewp) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EWQ
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![BU of 8ewq by Molmil](/molmil-images/mine/8ewq) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EWE
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![BU of 8ewe by Molmil](/molmil-images/mine/8ewe) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-22 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EXB
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![BU of 8exb by Molmil](/molmil-images/mine/8exb) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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7RTE
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![BU of 7rte by Molmil](/molmil-images/mine/7rte) | X-ray structure of wild type RBPJ-L3MBTL3-DNA complex | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ... | 著者 | Hall, D.P, Kovall, R.A, Yuan, Z. | 登録日 | 2021-08-13 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3. Nucleic Acids Res., 50, 2022
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8EWS
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![BU of 8ews by Molmil](/molmil-images/mine/8ews) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EWR
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![BU of 8ewr by Molmil](/molmil-images/mine/8ewr) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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7RTI
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![BU of 7rti by Molmil](/molmil-images/mine/7rti) | X-ray structure of RBPJ-L3MBTL3(dT62)-DNA complex | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ... | 著者 | Hall, D.P, Kovall, R.A, Yuan, Z. | 登録日 | 2021-08-13 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3. Nucleic Acids Res., 50, 2022
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8EWN
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![BU of 8ewn by Molmil](/molmil-images/mine/8ewn) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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6LK0
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![BU of 6lk0 by Molmil](/molmil-images/mine/6lk0) | Crystal structure of human wild type TRIP13 | 分子名称: | Pachytene checkpoint protein 2 homolog | 著者 | Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. | 登録日 | 2019-12-17 | 公開日 | 2020-01-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression. Cancer Res., 80, 2020
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8EWD
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![BU of 8ewd by Molmil](/molmil-images/mine/8ewd) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-22 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EWL
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![BU of 8ewl by Molmil](/molmil-images/mine/8ewl) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EWM
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![BU of 8ewm by Molmil](/molmil-images/mine/8ewm) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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3LC4
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