7AAI
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![BU of 7aai by Molmil](/molmil-images/mine/7aai) | Crystal structure of Human serum albumin in complex with perfluorooctanoic acid (PFOA) at 2.10 Angstrom Resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | 著者 | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | 登録日 | 2020-09-04 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin. Protein Sci., 30, 2021
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7AAE
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![BU of 7aae by Molmil](/molmil-images/mine/7aae) | Crystal structure of Human serum albumin in complex with myristic acid at 2.27 Angstrom Resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, FORMIC ACID, ... | 著者 | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | 登録日 | 2020-09-04 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin. Protein Sci., 30, 2021
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8PDE
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![BU of 8pde by Molmil](/molmil-images/mine/8pde) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif | 分子名称: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ... | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | 登録日 | 2023-06-12 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8Q9R
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![BU of 8q9r by Molmil](/molmil-images/mine/8q9r) | Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif | 分子名称: | Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ... | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | 登録日 | 2023-08-20 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8Q9P
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![BU of 8q9p by Molmil](/molmil-images/mine/8q9p) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | 分子名称: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | 登録日 | 2023-08-20 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8Q9Q
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![BU of 8q9q by Molmil](/molmil-images/mine/8q9q) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif | 分子名称: | HDAC7 (histone deacetylase 7) binding motif peptide: GLY-VAL-VAL-LYS-GLN-LYS-LEU-ALA-GLU-VAL-ILE-LEU-LYS-LYS-GLN, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGTT, ... | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | 登録日 | 2023-08-20 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8B20
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![BU of 8b20 by Molmil](/molmil-images/mine/8b20) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 | 分子名称: | 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | 登録日 | 2022-09-12 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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8B1Z
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![BU of 8b1z by Molmil](/molmil-images/mine/8b1z) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | 登録日 | 2022-09-12 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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8B1W
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![BU of 8b1w by Molmil](/molmil-images/mine/8b1w) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | 著者 | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | 登録日 | 2022-09-12 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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5MGI
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![BU of 5mgi by Molmil](/molmil-images/mine/5mgi) | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | 分子名称: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | 登録日 | 2016-11-21 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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7B5G
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![BU of 7b5g by Molmil](/molmil-images/mine/7b5g) | Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527) | 分子名称: | 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ... | 著者 | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | 登録日 | 2020-12-03 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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7ZRA
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![BU of 7zra by Molmil](/molmil-images/mine/7zra) | Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497) | 分子名称: | 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497) | 著者 | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | 登録日 | 2022-05-04 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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7Z57
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![BU of 7z57 by Molmil](/molmil-images/mine/7z57) | Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate) | 分子名称: | (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, ... | 著者 | Liberi, S, Moro, G, Vascon, F, Linciano, S, De Toni, L, Angelin, A, Cendron, L. | 登録日 | 2022-03-08 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds. Chem.Res.Toxicol., 35, 2022
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8OI2
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![BU of 8oi2 by Molmil](/molmil-images/mine/8oi2) | Crystal structure of Alb1 megabody in complex with human serum albumin | 分子名称: | Alb1 Megabody, Albumin | 著者 | De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L. | 登録日 | 2023-03-22 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site. Protein Sci., 33, 2024
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8C84
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![BU of 8c84 by Molmil](/molmil-images/mine/8c84) | Crystal structure of MADS-box/MEF2D N-terminal domain complex | 分子名称: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | 登録日 | 2023-01-18 | 公開日 | 2024-01-31 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8A76
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![BU of 8a76 by Molmil](/molmil-images/mine/8a76) | Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | 分子名称: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | 登録日 | 2022-06-20 | 公開日 | 2022-12-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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6Z48
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![BU of 6z48 by Molmil](/molmil-images/mine/6z48) | Crystal structure of Thrombin in complex with macrocycle X1vE | 分子名称: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | 著者 | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | 登録日 | 2020-05-23 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale. Nat Commun, 13, 2022
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5LL1
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![BU of 5ll1 by Molmil](/molmil-images/mine/5ll1) | |
6TGI
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![BU of 6tgi by Molmil](/molmil-images/mine/6tgi) | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | 分子名称: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | 登録日 | 2019-11-15 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
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6TS9
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![BU of 6ts9 by Molmil](/molmil-images/mine/6ts9) | Crystal structure of GES-5 carbapenemase | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | 著者 | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | 登録日 | 2019-12-20 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Targeting the Class A Carbapenemase GES-5 via Virtual Screening. Biomolecules, 10, 2020
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3HPE
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![BU of 3hpe by Molmil](/molmil-images/mine/3hpe) | |
2NOY
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![BU of 2noy by Molmil](/molmil-images/mine/2noy) | Crystal structure of transthyretin mutant I84S at PH 7.5 | 分子名称: | Transthyretin | 著者 | Pasquato, N, Berni, R, Folli, C, Alfieri, B, Cendron, L, Zanotti, G. | 登録日 | 2006-10-26 | 公開日 | 2007-01-16 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin J.Mol.Biol., 366, 2007
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8ASE
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![BU of 8ase by Molmil](/molmil-images/mine/8ase) | Crystal structure of Thrombin in complex with macrocycle T3 | 分子名称: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | 登録日 | 2022-08-19 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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8ASF
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![BU of 8asf by Molmil](/molmil-images/mine/8asf) | Crystal structure of Thrombin in complex with macrocycle T1 | 分子名称: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain | 著者 | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | 登録日 | 2022-08-19 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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3TLM
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![BU of 3tlm by Molmil](/molmil-images/mine/3tlm) | Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | 分子名称: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | 登録日 | 2011-08-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle. J.Struct.Biol., 178, 2012
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