4CMU
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![BU of 4cmu by Molmil](/molmil-images/mine/4cmu) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro- 1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecin-15(10H)-one | 分子名称: | (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | 登録日 | 2014-01-17 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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1NCC
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![BU of 1ncc by Molmil](/molmil-images/mine/1ncc) | CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IGG2A-KAPPA NC41 FAB (HEAVY CHAIN), ... | 著者 | Tulip, W.R, Varghese, J.N, Colman, P.M. | 登録日 | 1992-01-21 | 公開日 | 1994-01-31 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface. J.Mol.Biol., 227, 1992
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2TNF
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![BU of 2tnf by Molmil](/molmil-images/mine/2tnf) | 1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELECTIVITY AND TRIMERISATION | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, PROTEIN (TUMOR NECROSIS FACTOR ALPHA) | 著者 | Baeyens, K.J, De Bondt, H.L, Raeymaekers, A, Fiers, W, De Ranter, C.J. | 登録日 | 1998-10-12 | 公開日 | 1999-10-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization. Acta Crystallogr.,Sect.D, 55, 1999
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3MZZ
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![BU of 3mzz by Molmil](/molmil-images/mine/3mzz) | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus | 分子名称: | Rhodanese-like domain protein | 著者 | Kim, Y, Chruszcz, M, Minor, W, Edwards, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-05-13 | 公開日 | 2010-06-30 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus To be Published
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5IM5
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![BU of 5im5 by Molmil](/molmil-images/mine/5im5) | Crystal structure of designed two-component self-assembling icosahedral cage I53-40 | 分子名称: | Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase | 著者 | Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O. | 登録日 | 2016-03-05 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.699 Å) | 主引用文献 | Accurate design of megadalton-scale two-component icosahedral protein complexes. Science, 353, 2016
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3N59
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![BU of 3n59 by Molmil](/molmil-images/mine/3n59) | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | 分子名称: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | 著者 | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2010-05-24 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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6LAA
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![BU of 6laa by Molmil](/molmil-images/mine/6laa) | Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus | 分子名称: | 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ... | 著者 | Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2019-11-12 | 公開日 | 2020-06-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase. Nat Commun, 11, 2020
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2IDO
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![BU of 2ido by Molmil](/molmil-images/mine/2ido) | Structure of the E. coli Pol III epsilon-Hot proofreading complex | 分子名称: | 1,2-ETHANEDIOL, DNA polymerase III epsilon subunit, Hot protein, ... | 著者 | Kirby, T.W, Harvey, S, DeRose, E.F, Chalov, S, Chikova, A.K, Perrino, F.W, Schaaper, R.M, London, R.E, Pedersen, L.C. | 登録日 | 2006-09-15 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the Escherichia coli DNA polymerase III epsilon-HOT proofreading complex. J.Biol.Chem., 281, 2006
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8TES
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![BU of 8tes by Molmil](/molmil-images/mine/8tes) | Human cytomegalovirus portal vertex, virion configuration 2 (VC2) | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | 著者 | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | 登録日 | 2023-07-06 | 公開日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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4MAT
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![BU of 4mat by Molmil](/molmil-images/mine/4mat) | E.COLI METHIONINE AMINOPEPTIDASE HIS79ALA MUTANT | 分子名称: | PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION | 著者 | Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W. | 登録日 | 1999-03-29 | 公開日 | 1999-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis. Biochemistry, 38, 1999
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1O2T
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![BU of 1o2t by Molmil](/molmil-images/mine/1o2t) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O30
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![BU of 1o30 by Molmil](/molmil-images/mine/1o30) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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7N64
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![BU of 7n64 by Molmil](/molmil-images/mine/7n64) | SARS-CoV-2 Spike (2P) in complex with G32R7 Fab (RBD and NTD local reconstruction) | 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, G32R7 Fab heavy chain, ... | 著者 | Windsor, I.W, Jenni, S, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | 登録日 | 2021-06-07 | 公開日 | 2021-08-04 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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3N0S
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![BU of 3n0s by Molmil](/molmil-images/mine/3n0s) | Crystal structure of BA2930 mutant (H183A) in complex with AcCoA | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ... | 著者 | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-05-14 | 公開日 | 2010-06-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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1O37
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![BU of 1o37 by Molmil](/molmil-images/mine/1o37) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O3E
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![BU of 1o3e by Molmil](/molmil-images/mine/1o3e) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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5I86
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![BU of 5i86 by Molmil](/molmil-images/mine/5i86) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | 分子名称: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | 登録日 | 2016-02-18 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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7N62
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![BU of 7n62 by Molmil](/molmil-images/mine/7n62) | SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ... | 著者 | Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | 登録日 | 2021-06-07 | 公開日 | 2021-08-04 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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1O3O
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![BU of 1o3o by Molmil](/molmil-images/mine/1o3o) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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5QIF
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![BU of 5qif by Molmil](/molmil-images/mine/5qif) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z31792168 | 分子名称: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | 登録日 | 2018-05-22 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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8TET
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![BU of 8tet by Molmil](/molmil-images/mine/8tet) | Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 1 (NC1) | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | 著者 | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | 登録日 | 2023-07-07 | 公開日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.26 Å) | 主引用文献 | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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4LTS
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![BU of 4lts by Molmil](/molmil-images/mine/4lts) | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | 分子名称: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | 著者 | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | 登録日 | 2013-07-23 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.692 Å) | 主引用文献 | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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7RZI
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![BU of 7rzi by Molmil](/molmil-images/mine/7rzi) | Insulin Degrading Enzyme pC/pC | 分子名称: | Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain | 著者 | Mancl, J.M, Liang, W.G, Tang, W.J. | 登録日 | 2021-08-27 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme To be published
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7RZH
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![BU of 7rzh by Molmil](/molmil-images/mine/7rzh) | Insulin Degrading Enzyme O/O | 分子名称: | Cysteine-free Insulin-degrading enzyme | 著者 | Mancl, J.M, Liang, W.G, Tang, W.J. | 登録日 | 2021-08-27 | 公開日 | 2022-08-31 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme To be published
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7RZE
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![BU of 7rze by Molmil](/molmil-images/mine/7rze) | Insulin Degrading Enzyme pO/pC | 分子名称: | Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain | 著者 | Mancl, J.M, Liang, W.G, Tang, W.J. | 登録日 | 2021-08-27 | 公開日 | 2022-08-31 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme To be published
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