7EMC
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![BU of 7emc by Molmil](/molmil-images/mine/7emc) | Mooring Stone-Like Arg114 Pulls Diverse Bulged Peptides: First Insight into African Swine Fever Virus-Derived T Cell Epitopes Presented by Swine Major Histocompatibility Complex Class I | 分子名称: | ALA-THR-GLU-ILE-ARG-GLU-LEU-LEU-VAL, Beta-2-microglobulin, Leucocyte antigen | 著者 | Yue, C, Xiang, W, Huang, X, Sun, Y, Xiao, J, Liu, K, Sun, Z, Qiao, P, Li, H, Gan, J, Ba, L, Chai, Y, Qi, J, Liu, P, Qi, P, Zhao, Y, Li, Y, Qiu, H.J, Gao, G.F, Gao, G, Liu, W.J. | 登録日 | 2021-04-13 | 公開日 | 2021-12-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mooring Stone-Like Arg 114 Pulls Diverse Bulged Peptides: First Insight into African Swine Fever Virus-Derived T Cell Epitopes Presented by Swine Major Histocompatibility Complex Class I. J.Virol., 96, 2022
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5ME9
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![BU of 5me9 by Molmil](/molmil-images/mine/5me9) | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1. | 分子名称: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | 著者 | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | 登録日 | 2016-11-14 | 公開日 | 2017-05-17 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5MEK
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![BU of 5mek by Molmil](/molmil-images/mine/5mek) | Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP) | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Cytosolic sulfotransferase 18, ... | 著者 | Hirschmann, F, Krause, F, Baruch, P, Chizhov, I, Mueller, J.W, Manstein, D.J, Papenbrock, J, Fedorov, R. | 登録日 | 2016-11-15 | 公開日 | 2017-07-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism. Sci Rep, 7, 2017
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5HNG
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![BU of 5hng by Molmil](/molmil-images/mine/5hng) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | 著者 | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | 登録日 | 2016-01-18 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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4YC9
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![BU of 4yc9 by Molmil](/molmil-images/mine/4yc9) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i) | 分子名称: | GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ... | 著者 | Poncet-Montange, G, Palmer, W, Jones, P. | 登録日 | 2015-02-19 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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6BWO
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![BU of 6bwo by Molmil](/molmil-images/mine/6bwo) | LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, apo form | 分子名称: | Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein | 著者 | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | 登録日 | 2017-12-15 | 公開日 | 2018-06-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase. J. Biol. Chem., 293, 2018
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7ZO3
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![BU of 7zo3 by Molmil](/molmil-images/mine/7zo3) | L1 metallo-beta-lactamase in complex with hydrolysed tebipenem | 分子名称: | (2S,3R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO4
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![BU of 7zo4 by Molmil](/molmil-images/mine/7zo4) | L1 metallo-beta-lactamase in complex with hydrolysed panipenem | 分子名称: | (2R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SODIUM ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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5JAG
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![BU of 5jag by Molmil](/molmil-images/mine/5jag) | LeuT T354H mutant in the outward-oriented, Na+-free Return State | 分子名称: | Transporter, octyl beta-D-glucopyranoside | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | 登録日 | 2016-04-12 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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7VJB
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![BU of 7vjb by Molmil](/molmil-images/mine/7vjb) | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 ns time-point) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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1Y7Z
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5MHF
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![BU of 5mhf by Molmil](/molmil-images/mine/5mhf) | Murine endoplasmic reticulum alpha-glucosidase I with N-9'-methoxynonyl-1-deoxynojirimycin. | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mannosyl-oligosaccharide glucosidase, ... | 著者 | Hill, J.C, Caputo, A.T, Roversi, P, Zitzmann, N. | 登録日 | 2016-11-24 | 公開日 | 2017-12-20 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting Endoplasmic Reticulum alpha-Glucosidase I with a Single-Dose Iminosugar Treatment Protects against Lethal Influenza and Dengue Virus Infections. J.Med.Chem., 2020
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7A2H
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![BU of 7a2h by Molmil](/molmil-images/mine/7a2h) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine | 分子名称: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha' | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | 登録日 | 2020-08-18 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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6HJM
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4AKQ
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![BU of 4akq by Molmil](/molmil-images/mine/4akq) | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498D mutant | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | 著者 | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | 登録日 | 2012-02-28 | 公開日 | 2012-03-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis. Dalton Trans, 39, 2010
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5MYQ
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7VJH
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![BU of 7vjh by Molmil](/molmil-images/mine/7vjh) | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (5 us time-point) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6ZNN
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![BU of 6znn by Molmil](/molmil-images/mine/6znn) | The pointed end complex of dynactin bound to Hook3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... | 著者 | Lau, C.K, Lacey, S.E, Carter, A.P. | 登録日 | 2020-07-06 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end. Embo J., 40, 2021
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5JAF
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![BU of 5jaf by Molmil](/molmil-images/mine/5jaf) | LeuT Na+-free Return State, C2 form at pH 5 | 分子名称: | Transporter, octyl beta-D-glucopyranoside | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | 登録日 | 2016-04-12 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.021 Å) | 主引用文献 | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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1YIH
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![BU of 1yih by Molmil](/molmil-images/mine/1yih) | T-to-T(High) quaternary transitions in human hemoglobin: betaP100A oxy (2.2MM IHP, 20% PEG) (1 test set) | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | 登録日 | 2005-01-11 | 公開日 | 2005-01-18 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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5NEK
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![BU of 5nek by Molmil](/molmil-images/mine/5nek) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with acetazolamide | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ... | 著者 | Andreou, A, Giastas, P, Eliopoulos, E.E. | 登録日 | 2017-03-10 | 公開日 | 2018-02-21 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (3.057 Å) | 主引用文献 | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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7VJE
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![BU of 7vje by Molmil](/molmil-images/mine/7vje) | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (300 ns time-point) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6ZPM
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![BU of 6zpm by Molmil](/molmil-images/mine/6zpm) | Crystal structure of the unconventional kinetochore protein Trypanosoma cruzi KKT4 coiled coil domain | 分子名称: | THREONINE, Trypanosoma cruzi KKT4 117-218 | 著者 | Ludzia, P, Lowe, D.E, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B. | 登録日 | 2020-07-08 | 公開日 | 2020-10-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein. Structure, 29, 2021
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8W0Z
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![BU of 8w0z by Molmil](/molmil-images/mine/8w0z) | Human LCAD complexed with Lauric Acid | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LAURIC ACID, Long-chain specific acyl-CoA dehydrogenase, ... | 著者 | Xia, C, Kim, J.J.P. | 登録日 | 2024-02-14 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases. Sci Rep, 14, 2024
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6PTY
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![BU of 6pty by Molmil](/molmil-images/mine/6pty) | Soluble model of human CuA (Tt3Lh) | 分子名称: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION, GLYCEROL, ... | 著者 | Giannini, E, Lisa, M.N, Morgada, M.N, Alzari, P.M, Vila, A.J. | 登録日 | 2019-07-16 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways. Chem.Commun.(Camb.), 56, 2020
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