3GYT
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![BU of 3gyt by Molmil](/molmil-images/mine/3gyt) | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 | 分子名称: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | 著者 | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | 登録日 | 2009-04-05 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA, 106, 2009
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7MJI
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![BU of 7mji by Molmil](/molmil-images/mine/7mji) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 (focused refinement of RBD and VH ab8) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab8 | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7MJH
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![BU of 7mjh by Molmil](/molmil-images/mine/7mjh) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7MJJ
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![BU of 7mjj by Molmil](/molmil-images/mine/7mjj) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7MJL
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![BU of 7mjl by Molmil](/molmil-images/mine/7mjl) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (focused refinement of RBD and Fab ab1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, Fab ab1 Light Chain, ... | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7MJN
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![BU of 7mjn by Molmil](/molmil-images/mine/7mjn) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7MJK
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![BU of 7mjk by Molmil](/molmil-images/mine/7mjk) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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5KWW
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![BU of 5kww by Molmil](/molmil-images/mine/5kww) | Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ... | 著者 | McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2016-07-19 | 公開日 | 2017-08-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun, 8, 2017
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2Y3S
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![BU of 2y3s by Molmil](/molmil-images/mine/2y3s) | Structure of the tirandamycine-bound FAD-dependent tirandamycin oxidase TamL in C2 space group | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H. | 登録日 | 2010-12-23 | 公開日 | 2011-06-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes Nat.Chem, 3, 2011
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2Y08
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![BU of 2y08 by Molmil](/molmil-images/mine/2y08) | Structure of the substrate-free FAD-dependent tirandamycin oxidase TamL | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H. | 登録日 | 2010-11-30 | 公開日 | 2011-06-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes Nat.Chem, 3, 2011
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2Y4G
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![BU of 2y4g by Molmil](/molmil-images/mine/2y4g) | Structure of the Tirandamycin-bound FAD-dependent tirandamycin oxidase TamL in P212121 space group | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H. | 登録日 | 2011-01-05 | 公開日 | 2011-06-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes Nat.Chem, 3, 2011
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7RBQ
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![BU of 7rbq by Molmil](/molmil-images/mine/7rbq) | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | 分子名称: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | 著者 | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2021-07-06 | 公開日 | 2021-08-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor To Be Published
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5KNQ
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![BU of 5knq by Molmil](/molmil-images/mine/5knq) | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | 著者 | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | 登録日 | 2016-06-28 | 公開日 | 2017-09-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.553 Å) | 主引用文献 | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
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2Y5Z
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![BU of 2y5z by Molmil](/molmil-images/mine/2y5z) | Mixed-function P450 MycG in complex with mycinamicin III in C2221 space group | 分子名称: | BENZAMIDINE, GLYCEROL, MYCINAMICIN III, ... | 著者 | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | 登録日 | 2011-01-19 | 公開日 | 2012-02-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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2Y46
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![BU of 2y46 by Molmil](/molmil-images/mine/2y46) | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group | 分子名称: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | 著者 | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | 登録日 | 2011-01-05 | 公開日 | 2012-01-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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2Y5N
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![BU of 2y5n by Molmil](/molmil-images/mine/2y5n) | Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group | 分子名称: | GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ... | 著者 | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | 登録日 | 2011-01-15 | 公開日 | 2012-02-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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5KNY
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![BU of 5kny by Molmil](/molmil-images/mine/5kny) | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic acid | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | 著者 | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | 登録日 | 2016-06-28 | 公開日 | 2017-09-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
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2FNN
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![BU of 2fnn by Molmil](/molmil-images/mine/2fnn) | Activation of human carbonic anhydrase II by exogenous proton donors | 分子名称: | 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | 登録日 | 2006-01-11 | 公開日 | 2006-11-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II. Biophys.J., 92, 2007
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2YKM
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![BU of 2ykm by Molmil](/molmil-images/mine/2ykm) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | 分子名称: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | 著者 | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | 登録日 | 2011-05-28 | 公開日 | 2011-08-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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5EA6
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![BU of 5ea6 by Molmil](/molmil-images/mine/5ea6) | Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ... | 著者 | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2015-10-15 | 公開日 | 2015-12-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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2Y0R
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![BU of 2y0r by Molmil](/molmil-images/mine/2y0r) | Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 | 分子名称: | MYOSIN-2 HEAVY CHAIN | 著者 | Preller, M, Bauer, S, Adamek, N, Fujita-Becker, S, Fedorov, R, Geeves, M.A, Manstein, D.J. | 登録日 | 2010-12-07 | 公開日 | 2011-07-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural Basis for the Allosteric Interference of Myosin Function by Reactive Thiol Region Mutations G680A and G680V. J.Biol.Chem., 286, 2011
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7RBR
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![BU of 7rbr by Molmil](/molmil-images/mine/7rbr) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-07-06 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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5KUT
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![BU of 5kut by Molmil](/molmil-images/mine/5kut) | hMiro2 C-terminal GTPase domain, GDP-bound | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 2 | 著者 | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2016-07-13 | 公開日 | 2016-09-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | 主引用文献 | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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5KSZ
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![BU of 5ksz by Molmil](/molmil-images/mine/5ksz) | hMiro EF hand and cGTPase domains in the GMPPCP-bound state | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Mitochondrial Rho GTPase 1, ... | 著者 | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2016-07-10 | 公開日 | 2016-09-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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