3K3O
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![BU of 3k3o by Molmil](/molmil-images/mine/3k3o) | Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
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2HD3
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![BU of 2hd3 by Molmil](/molmil-images/mine/2hd3) | Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316 | 分子名称: | Ethanolamine utilization protein eutN | 著者 | Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-06-19 | 公開日 | 2006-08-15 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Functional insights from structural genomics. J.STRUCT.FUNCT.GENOM., 8, 2007
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1TPP
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![BU of 1tpp by Molmil](/molmil-images/mine/1tpp) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | 分子名称: | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Walter, J, Bode, W, Huber, R. | 登録日 | 1982-09-27 | 公開日 | 1983-01-18 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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6TBJ
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![BU of 6tbj by Molmil](/molmil-images/mine/6tbj) | Structure of a beta galactosidase with inhibitor | 分子名称: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBH
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![BU of 6tbh by Molmil](/molmil-images/mine/6tbh) | Structure of a beta galactosidase with inhibitor | 分子名称: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6RZT
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![BU of 6rzt by Molmil](/molmil-images/mine/6rzt) | Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes | 分子名称: | Putative mitochondrial dynamin protein | 著者 | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuehlbrandt, W, Daumke, O. | 登録日 | 2019-06-13 | 公開日 | 2019-07-24 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (14.7 Å) | 主引用文献 | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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6SPT
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![BU of 6spt by Molmil](/molmil-images/mine/6spt) | High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity | 分子名称: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G. | 登録日 | 2019-09-02 | 公開日 | 2020-01-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. J.Med.Chem., 63, 2020
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6WVH
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![BU of 6wvh by Molmil](/molmil-images/mine/6wvh) | Human VKOR with Brodifacoum | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ... | 著者 | Liu, S, Sukumar, N, Li, W. | 登録日 | 2020-05-06 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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3K3N
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![BU of 3k3n by Molmil](/molmil-images/mine/3k3n) | Crystal structure of the catalytic core domain of human PHF8 | 分子名称: | FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
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6WCZ
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![BU of 6wcz by Molmil](/molmil-images/mine/6wcz) | CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | 分子名称: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | 著者 | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | 登録日 | 2020-03-31 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural basis for STAT2 suppression by flavivirus NS5. Nat.Struct.Mol.Biol., 27, 2020
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6TBG
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![BU of 6tbg by Molmil](/molmil-images/mine/6tbg) | Structure of a beta galactosidase with inhibitor | 分子名称: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBK
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![BU of 6tbk by Molmil](/molmil-images/mine/6tbk) | Structure of a beta galactosidase with inhibitor | 分子名称: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBF
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![BU of 6tbf by Molmil](/molmil-images/mine/6tbf) | Structure of a beta galactosidase with inhibitor | 分子名称: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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8AHV
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![BU of 8ahv by Molmil](/molmil-images/mine/8ahv) | Crystal structure of human cathepsin L in complex with calpain inhibitor XII | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ... | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | 登録日 | 2022-07-22 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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6TBI
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![BU of 6tbi by Molmil](/molmil-images/mine/6tbi) | Structure of a beta galactosidase with inhibitor | 分子名称: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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4YWT
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![BU of 4ywt by Molmil](/molmil-images/mine/4ywt) | |
2VV5
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![BU of 2vv5 by Molmil](/molmil-images/mine/2vv5) | |
2XA3
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![BU of 2xa3 by Molmil](/molmil-images/mine/2xa3) | crystal structure of the broadly neutralizing llama VHH D7 and its mode of HIV-1 gp120 interaction | 分子名称: | LLAMA HEAVY CHAIN ANTIBODY D7, SULFATE ION | 著者 | Hinz, A, Lutje Hulsik, D, Forsman, A, Koh, W, Belrhali, H, Gorlani, A, de Haard, H, Weiss, R.A, Verrips, T, Weissenhorn, W. | 登録日 | 2010-03-29 | 公開日 | 2010-05-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the neutralizing Llama V(HH) D7 and its mode of HIV-1 gp120 interaction. PLoS ONE, 5, 2010
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2XC4
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![BU of 2xc4 by Molmil](/molmil-images/mine/2xc4) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | 登録日 | 2010-04-16 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XC0
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![BU of 2xc0 by Molmil](/molmil-images/mine/2xc0) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBV
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![BU of 2xbv by Molmil](/molmil-images/mine/2xbv) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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3DBQ
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![BU of 3dbq by Molmil](/molmil-images/mine/3dbq) | Crystal structure of TTK kinase domain | 分子名称: | Dual specificity protein kinase TTK | 著者 | Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D. | 登録日 | 2008-06-02 | 公開日 | 2009-02-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and Mechanistic Insights into Mps1 Kinase Activation J.CELL.MOL.MED., 13, 2008
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3AIT
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![BU of 3ait by Molmil](/molmil-images/mine/3ait) | |
2LGK
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![BU of 2lgk by Molmil](/molmil-images/mine/2lgk) | NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide | 分子名称: | E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide | 著者 | Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C. | 登録日 | 2011-07-28 | 公開日 | 2011-09-28 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger. Cell Res., 21, 2011
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2LFF
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![BU of 2lff by Molmil](/molmil-images/mine/2lff) | Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21 | 分子名称: | Diiron protein, ZINC ION | 著者 | Pires, M, Wu, Y, Mills, J.L, Reig, A, Englander, W, Degrado, W, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2011-06-29 | 公開日 | 2011-08-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of Diiron protein in presence of 8 eq Zn2+ To be Published
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