2WD4
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![BU of 2wd4 by Molmil](/molmil-images/mine/2wd4) | Ascorbate Peroxidase as a heme oxygenase: w41A variant product with t-butyl peroxide | 分子名称: | 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID, ASCORBATE PEROXIDASE, FE (III) ION, ... | 著者 | Badyal, S.K, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E. | 登録日 | 2009-03-19 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Evidence for Heme Oxygenase Activity in a Heme Peroxidase. Biochemistry, 48, 2009
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4DM3
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![BU of 4dm3 by Molmil](/molmil-images/mine/4dm3) | Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole | 分子名称: | IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ... | 著者 | Nair, P.C, Malde, A.K, Mark, A.E. | 登録日 | 2012-02-06 | 公開日 | 2012-04-25 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4001 Å) | 主引用文献 | Missing fragments: detecting cooperative binding in fragment-based drug design. ACS Med Chem Lett, 3, 2012
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2NRU
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![BU of 2nru by Molmil](/molmil-images/mine/2nru) | Crystal structure of IRAK-4 | 分子名称: | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE, Interleukin-1 receptor-associated kinase 4, SULFATE ION | 著者 | Wang, Z, Liu, J, Walker, N.P.C. | 登録日 | 2006-11-02 | 公開日 | 2006-12-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper. Structure, 14, 2006
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2VNX
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![BU of 2vnx by Molmil](/molmil-images/mine/2vnx) | Crystal structure of soybean ascorbate peroxidase mutant W41A after exposure to a high dose of x-rays | 分子名称: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | 著者 | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | 登録日 | 2008-02-08 | 公開日 | 2008-04-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase. Biochemistry, 47, 2008
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2VS6
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![BU of 2vs6 by Molmil](/molmil-images/mine/2vs6) | K173A, R174A, K177A-trichosanthin | 分子名称: | RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN | 著者 | Too, P.H, Ma, M.K, Mak, A.N, Tung, C.K, Zhu, G, Au, S.W, Wong, K.B, Shaw, P.C, Ng, A. | 登録日 | 2008-04-21 | 公開日 | 2008-12-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The C-Terminal Fragment of the Ribosomal P Protein Complexed to Trichosanthin Reveals the Interaction between the Ribosome-Inactivating Protein and the Ribosome. Nucleic Acids Res., 37, 2009
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2VEU
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![BU of 2veu by Molmil](/molmil-images/mine/2veu) | Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor | 分子名称: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | 著者 | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | 登録日 | 2007-10-27 | 公開日 | 2007-11-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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2V6H
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![BU of 2v6h by Molmil](/molmil-images/mine/2v6h) | Crystal structure of the C1 domain of cardiac myosin binding protein-C | 分子名称: | MYOSIN-BINDING PROTEIN C, CARDIAC-TYPE | 著者 | Govata, L, Carpenter, L, Da Fonseca, P.C.A, Helliwell, J.R, Rizkallah, P.J, Flashman, E, Chayen, N.E, Redwood, C, Squire, J.M. | 登録日 | 2007-07-18 | 公開日 | 2008-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of the C1 domain of cardiac myosin binding protein-C: implications for hypertrophic cardiomyopathy. J. Mol. Biol., 378, 2008
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2W1O
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![BU of 2w1o by Molmil](/molmil-images/mine/2w1o) | NMR structure of dimerization domain of human ribosomal protein P2 | 分子名称: | 60S ACIDIC RIBOSOMAL PROTEIN P2 | 著者 | Lee, K.M, Chan, D.S, Sze, K.H, Zhu, G, Shaw, P.C, Wong, K.B. | 登録日 | 2008-10-20 | 公開日 | 2009-11-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of the Dimerization Domain of Ribosomal Protein P2 Provides Insights for the Structural Organization of Eukaryotic Stalk. Nucleic Acids Res., 38, 2010
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4C38
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![BU of 4c38 by Molmil](/molmil-images/mine/4c38) | PKA-S6K1 Chimera with compound 21e (CCT239066) bound | 分子名称: | 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ... | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | 登録日 | 2013-08-21 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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2VT4
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![BU of 2vt4 by Molmil](/molmil-images/mine/2vt4) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL | 分子名称: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA1 ADRENERGIC RECEPTOR, DECANE, ... | 著者 | Warne, A, Serrano-Vega, M.J, Baker, J.G, Moukhametzianov, R, Edwards, P.C, Henderson, R, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | 登録日 | 2008-05-09 | 公開日 | 2008-06-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor. Nature, 454, 2008
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2L95
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![BU of 2l95 by Molmil](/molmil-images/mine/2l95) | Solution Structure of Cytotoxic T-Lymphocyte Antigent-2(Ctla protein), Crammer at pH 6.0 | 分子名称: | Crammer | 著者 | Tseng, T.S, Cheng, C.S, Liu, Y.N, Lyu, P.C. | 登録日 | 2011-01-31 | 公開日 | 2011-12-21 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A molten globule-to-ordered structure transition of Drosophila melanogaster crammer is required for its ability to inhibit cathepsin. Biochem.J., 442, 2012
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2OBQ
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![BU of 2obq by Molmil](/molmil-images/mine/2obq) | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | 分子名称: | Hepatitis C virus, ZINC ION | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-19 | 公開日 | 2007-07-31 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC0
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![BU of 2oc0 by Molmil](/molmil-images/mine/2oc0) | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-20 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC7
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![BU of 2oc7 by Molmil](/molmil-images/mine/2oc7) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-20 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OGT
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![BU of 2ogt by Molmil](/molmil-images/mine/2ogt) | Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8 | 分子名称: | GLYCEROL, IODIDE ION, Thermostable carboxylesterase Est50 | 著者 | Liu, P, Ewis, H.E, Tai, P.C, Lu, C.D, Weber, I.T. | 登録日 | 2007-01-08 | 公開日 | 2007-02-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11. J.Mol.Biol., 367, 2007
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4C36
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![BU of 4c36 by Molmil](/molmil-images/mine/4c36) | PKA-S6K1 Chimera with compound 15e (CCT147581) bound | 分子名称: | 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | 登録日 | 2013-08-21 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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2WGQ
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![BU of 2wgq by Molmil](/molmil-images/mine/2wgq) | |
4C37
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![BU of 4c37 by Molmil](/molmil-images/mine/4c37) | PKA-S6K1 Chimera with compound 21a (CCT196539) bound | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | 登録日 | 2013-08-21 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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2MKW
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![BU of 2mkw by Molmil](/molmil-images/mine/2mkw) | |
2MKP
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![BU of 2mkp by Molmil](/molmil-images/mine/2mkp) | N domain of cardiac troponin C bound to the switch fragment of fast skeletal troponin I at pH 6 | 分子名称: | CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ... | 著者 | Robertson, I.M, Pineda-Sanabria, S.E, Holmes, P.C, Sykes, B.D. | 登録日 | 2014-02-11 | 公開日 | 2014-02-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Conformation of the critical pH sensitive region of troponin depends upon a single residue in troponin I. Arch.Biochem.Biophys., 552-553, 2014
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2OFJ
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![BU of 2ofj by Molmil](/molmil-images/mine/2ofj) | Crystal structure of the E190A mutant of o-succinylbenzoate synthase from Escherichia coli | 分子名称: | O-succinylbenzoate synthase | 著者 | Nagatani, R.A, Gonzalez, A, Shoichet, B.K, Brinen, L.S, Babbitt, P.C. | 登録日 | 2007-01-03 | 公開日 | 2007-06-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Stability for Function Trade-Offs in the Enolase Superfamily "Catalytic Module". Biochemistry, 46, 2007
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4E0H
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![BU of 4e0h by Molmil](/molmil-images/mine/4e0h) | Crystal structure of FAD binding domain of Erv1 from Saccharomyces cerevisiae | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Mitochondrial FAD-linked sulfhydryl oxidase ERV1 | 著者 | Guo, P.C, Ma, J.D, Jiang, Y.L, Wang, S.J, Hu, T.T, Chen, Y.X, Zhou, C.Z. | 登録日 | 2012-03-04 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of yeast sulfhydryl oxidase erv1 reveals electron transfer of the disulfide relay system in the mitochondrial intermembrane space J.Biol.Chem., 287, 2012
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4E0I
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![BU of 4e0i by Molmil](/molmil-images/mine/4e0i) | Crystal structure of the C30S/C133S mutant of Erv1 from Saccharomyces cerevisiae | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Mitochondrial FAD-linked sulfhydryl oxidase ERV1 | 著者 | Guo, P.C, Ma, J.D, Jiang, Y.L, Wang, S.J, Hu, T.T, Chen, Y.X, Zhou, C.Z. | 登録日 | 2012-03-04 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of yeast sulfhydryl oxidase erv1 reveals electron transfer of the disulfide relay system in the mitochondrial intermembrane space J.Biol.Chem., 287, 2012
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4DGW
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4C16
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![BU of 4c16 by Molmil](/molmil-images/mine/4c16) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist | 分子名称: | (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | 登録日 | 2013-08-09 | 公開日 | 2014-08-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation. J.Mol.Cell.Biol., 8, 2016
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