6LZC
 
 | | crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with KV-P2-4H-05 | | 分子名称: | COBALT (II) ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Sandeep, C.B, Addlagatta, A. | | 登録日 | 2020-02-18 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies.
Bioorg.Chem., 115, 2021
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7F2L
 | | Crystal structure of PDE4D catalytic domain complexed with compound 18a | | 分子名称: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | | 登録日 | 2021-06-11 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.10111427 Å) | | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
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7F2M
 | | Crystal structure of PDE4D catalytic domain complexed with compound 18d | | 分子名称: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | | 登録日 | 2021-06-11 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.20004153 Å) | | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
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7F2K
 | | Crystal structure of PDE4D catalytic domain complexed with compound 17a | | 分子名称: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | | 登録日 | 2021-06-11 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.10001969 Å) | | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
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5SZF
 | | 2A10 FAB fragment 2.54 Angstoms | | 分子名称: | 2A10 antibody FAB fragment heavy chain, 2A10 antibody FAB fragment light chain, SULFATE ION | | 著者 | Jackson, C.J, Fisher, C. | | 登録日 | 2016-08-13 | | 公開日 | 2017-07-26 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | T-dependent B cell responses to Plasmodium induce antibodies that form a high-avidity multivalent complex with the circumsporozoite protein.
PLoS Pathog., 13, 2017
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2BK5
 | | Human Monoamine Oxidase B: I199F mutant in complex with isatin | | 分子名称: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ISATIN | | 著者 | Binda, C, Edmondson, D.E, Mattevi, A, Hubalek, F, Khalil, A, Li, M, Castagnoli, N. | | 登録日 | 2005-02-10 | | 公開日 | 2005-02-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Demonstration of Isoleucine 199 as a Structural Determinant for the Selective Inhibition of Human Monoamine Oxidase B by Specific Reversible Inhibitors.
J.Biol.Chem., 280, 2005
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2Z2O
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6MHN
 | | Photoactive Yellow Protein with covalently bound 3-chloro-4-hydroxycinnamic acid chromophore | | 分子名称: | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein | | 著者 | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | | 登録日 | 2018-09-18 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
J.Phys.Chem.B, 123, 2019
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2WMJ
 | | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 (Sp3GH98) in complex with the B-trisaccharide blood group antigen. | | 分子名称: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | | 著者 | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | | 登録日 | 2009-06-30 | | 公開日 | 2009-07-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
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2VNO
 | | Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group B-trisaccharide ligand. | | 分子名称: | CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[beta-D-galactopyranose-(1-3)]beta-D-galactopyranose | | 著者 | Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B. | | 登録日 | 2008-02-05 | | 公開日 | 2008-02-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
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1XEQ
 | | Crystal tructure of RNA binding domain of influenza B virus non-structural protein | | 分子名称: | BROMIDE ION, Nonstructural protein NS1 | | 著者 | Khan, J.A, Yin, C, Krug, R.M, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2004-09-11 | | 公開日 | 2005-09-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conserved surface features form the double-stranded RNA binding site of non-structural protein 1 (NS1) from influenza A and B viruses.
J.Biol.Chem., 282, 2007
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1N69
 | | Crystal structure of human saposin B | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, SAPOSIN B | | 著者 | Ahn, V.E, Faull, K.F, Whitelegge, J.P, Fluharty, A.L, Prive, G.G. | | 登録日 | 2002-11-08 | | 公開日 | 2003-01-07 | | 最終更新日 | 2021-06-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of saposin B reveals a dimeric shell for lipid binding
Proc.Natl.Acad.Sci.USA, 100, 2003
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7WYM
 | | Structure of the SARS-COV-2 main protease with 337 inhibitor | | 分子名称: | 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | | 登録日 | 2022-02-16 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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4EJN
 | | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | | 著者 | Eathiraj, S. | | 登録日 | 2012-04-06 | | 公開日 | 2012-05-23 | | 最終更新日 | 2013-01-02 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
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3CBJ
 | | Chagasin-Cathepsin B complex | | 分子名称: | Cathepsin B, Chagasin, PHOSPHATE ION | | 著者 | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | | 登録日 | 2008-02-22 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B.
J.Biol.Chem., 283, 2008
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2C70
 | | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | | 分子名称: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, P-NITRO-BENZYLAMINE | | 著者 | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | | 登録日 | 2005-11-17 | | 公開日 | 2006-04-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins
Biochemistry, 45, 2006
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2IBJ
 | | Structure of House Fly Cytochrome B5 | | 分子名称: | Cytochrome b5, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Terzyan, S, Zhang, X.C, Benson, D.R, Wang, L. | | 登録日 | 2006-09-11 | | 公開日 | 2007-02-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Comparison of cytochromes b(5) from insects and vertebrates.
Proteins, 67, 2007
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1RRK
 | | Crystal Structure Analysis of the Bb segment of Factor B | | 分子名称: | COBALT (II) ION, Complement factor B, IODIDE ION, ... | | 著者 | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | | 登録日 | 2003-12-08 | | 公開日 | 2004-12-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Mol.Cell, 14, 2004
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1RS0
 | | Crystal Structure Analysis of the Bb segment of Factor B complexed with Di-isopropyl-phosphate (DIP) | | 分子名称: | Complement factor B, DIISOPROPYL PHOSPHONATE, IODIDE ION, ... | | 著者 | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | | 登録日 | 2003-12-09 | | 公開日 | 2004-12-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Mol.Cell, 14, 2004
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1SYV
 | | HLA-B*4405 complexed to the dominant self ligand EEFGRAYGF | | 分子名称: | Beta-2-microglobulin, MHC class I antigen, major histocompatibility complex, ... | | 著者 | Zernich, D, Purcell, A.W, Macdonald, W.A, Kjer-Nielsen, L, Ely, L.K, Laham, N, Crockford, T, Mifsud, N.A, Tait, B.D, Holdsworth, R, Brooks, A.G, Bottomley, S.P, Beddoe, T, Peh, C.A, Rossjohn, J, McCluskey, J. | | 登録日 | 2004-04-02 | | 公開日 | 2004-10-19 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Natural HLA class I polymorphism controls the pathway of antigen presentation and susceptibility to viral evasion
J.Exp.Med., 200, 2004
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2BYB
 | | Human Monoamine Oxidase B in complex with Deprenyl | | 分子名称: | AMINE OXIDASE [FLAVIN-CONTAINING] B, DEPRENYL, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Binda, C, De Colibus, L, Edmondson, D.E, Mattevi, A. | | 登録日 | 2005-07-29 | | 公開日 | 2005-08-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
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2WI5
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | 分子名称: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | 登録日 | 2009-05-08 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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1Z5T
 | | Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I. | | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*AP*(ZDU)P*(ZDU)P*CP*GP*CP*G)-3', SPERMINE, THALLIUM (I) ION | | 著者 | Moulaei, T, Maehigashi, T, Lountos, G.T, Komeda, S, Watkins, D, Stone, M.P, Marky, L.A, Li, J.S, Gold, B, Williams, L.D. | | 登録日 | 2005-03-19 | | 公開日 | 2005-07-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of B-DNA with cations tethered in the major groove.
Biochemistry, 44, 2005
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2PRI
 | | BINDING OF 2-DEOXY-GLUCOSE-6-PHOSPHATE TO GLYCOGEN PHOSPHORYLASE B | | 分子名称: | 2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Oikonomakos, N.G, Zographos, S.E, Johnson, L.N, Papageorgiou, A.C, Acharya, K.R. | | 登録日 | 1998-12-11 | | 公開日 | 1998-12-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies.
J.Mol.Biol., 254, 1995
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3KSQ
 | | Discovery of C-Imidazole Azaheptapyridine FPT Inhibitors | | 分子名称: | FARNESYL DIPHOSPHATE, Farnesyltransferase, CAAX box, ... | | 著者 | Zhu, H.Y, Cooper, A.B, Njoroge, G, Kirschmeier, P, Strickland, C, Hruza, A, Girijavallabhan, V.M. | | 登録日 | 2009-11-23 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of C-imidazole azaheptapyridine FPT inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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