2WSS
 
 | | The structure of the membrane extrinsic region of bovine ATP synthase | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ... | | 著者 | Rees, D.M, Leslie, A.G.W, Walker, J.E. | | 登録日 | 2009-09-09 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The Structure of the Membrane Extrinsic Region of Bovine ATP Synthase
Proc.Natl.Acad.Sci.USA, 106, 2009
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5NBK
 | | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | | 分子名称: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-03-02 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5NCB
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. | | 分子名称: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2017-03-03 | | 公開日 | 2018-07-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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1NMO
 | | Structural genomics, protein ybgI, unknown function | | 分子名称: | FE (III) ION, Hypothetical protein ybgI | | 著者 | Ladner, J.E, Obmolova, G, Teplyakov, A, Khil, P.P, Camerini-Otero, R.D, Gilliland, G.L, Structure 2 Function Project (S2F) | | 登録日 | 2003-01-10 | | 公開日 | 2004-01-20 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of Escherichia coli Protein ybgI, a toroidal structure with a dinuclear metal site
BMC Struct.Biol., 3, 2003
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1JF7
 | | HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177836 | | 分子名称: | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE 1B | | 著者 | Larsen, S.D, Barf, T, Liljebris, C, May, P.D, Ogg, D, O'Sullivan, T.J, Palazuk, B.J, Schostarez, H.J, Stevens, F.C, Bleasdale, J.E. | | 登録日 | 2001-06-20 | | 公開日 | 2002-02-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Synthesis and biological activity of a novel class of small molecular weight peptidomimetic competitive inhibitors of protein tyrosine phosphatase 1B.
J.Med.Chem., 45, 2002
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2XJG
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-07-06 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2XDL
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 2-METHYL-4-DIETHYLAMIDE-PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-05-04 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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1JA9
 | | Crystal structure of 1,3,6,8-tetrahydroxynaphthalene reductase in complex with NADPH and pyroquilon | | 分子名称: | 1,3,6,8-tetrahydroxynaphthalene reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYROQUILON | | 著者 | Liao, D.-I, Thompson, J.E, Fahnestock, S, Valent, B, Jordan, D.B. | | 登録日 | 2001-05-30 | | 公開日 | 2001-09-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A structural account of substrate and inhibitor specificity differences between two naphthol reductases.
Biochemistry, 40, 2001
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2XFD
 | | vCBM60 in complex with cellobiose | | 分子名称: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, GLYCEROL, ... | | 著者 | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | | 登録日 | 2010-05-21 | | 公開日 | 2010-06-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules.
J.Biol.Chem., 285, 2010
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2XHH
 | | Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules | | 分子名称: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE | | 著者 | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | | 登録日 | 2010-06-16 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010
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2XDU
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, ... | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-05-07 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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1O98
 | | 1.4A CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE | | 分子名称: | 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION, ... | | 著者 | Rigden, D.J, Lamani, E, Littlejohn, J.E, Jedrzejas, M.J. | | 登録日 | 2002-12-11 | | 公開日 | 2003-05-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling
J.Mol.Biol., 328, 2003
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2Y4L
 | | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH Manganese and GDP | | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MALONATE ION, ... | | 著者 | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | | 登録日 | 2011-01-07 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
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2NW4
 | | Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929 | | 分子名称: | 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor | | 著者 | Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G. | | 登録日 | 2006-11-14 | | 公開日 | 2006-12-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
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3HLT
 | | The crystal structure of human haloacid dehalogenase-like hydrolase domain containing 2 (HDHD2) | | 分子名称: | CHLORIDE ION, HDHD2, SODIUM ION, ... | | 著者 | Ugochukwu, E, Shafqat, N, Yue, W.W, Cocking, R, Bray, J.E, Muniz, J.R.C, Krojer, T, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2009-05-28 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The crystal structure of human haloacid dehalogenase-like hydrolase domain containing 2 (HDHD2)
To be Published
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5LZI
 | | Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 | | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Heggelund, J.E, Mackenzie, A, Krengel, U. | | 登録日 | 2016-09-29 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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2NZL
 | | Crystal structure of human hydroxyacid oxidase 1 | | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYOXYLIC ACID, Hydroxyacid oxidase 1 | | 著者 | Ugochukwu, E, Kavanagh, K, Pilka, E, Berridge, G, Debreczeni, J.E, Papagrigoriou, E, Turnbull, A, Niesen, F, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2006-11-24 | | 公開日 | 2006-12-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystal structure of human hydroxyacid oxidase 1
To be Published
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8FZA
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1OKH
 | | Viscotoxin A3 from Viscum album L. | | 分子名称: | PHOSPHATE ION, SULFATE ION, VISCOTOXIN A3 | | 著者 | Debreczeni, J.E, Girmann, B, Zeeck, A, Sheldrick, G.M. | | 登録日 | 2003-07-24 | | 公開日 | 2003-12-04 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of Viscotoxin A3: Disulfide Location from Weak Sad Data
Acta Crystallogr.,Sect.D, 59, 2003
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1I2L
 | | DEOXYCHORISMATE LYASE FROM ESCHERICHIA COLI WITH INHIBITOR | | 分子名称: | 4-AMINO-4-DEOXYCHORISMATE LYASE, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | 著者 | Jensen, P.Y, Parsons, J.F, Fisher, K.E, Pachikara, A.S, Tordova, M, Howard, A.J, Eisenstein, E, Ladner, J.E. | | 登録日 | 2001-02-09 | | 公開日 | 2003-09-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure and Mechanism of Escherichia coli Aminodeoxychorismate Lyase
To be Published
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4B1M
 | | CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS | | 分子名称: | LEVANASE, SODIUM ION, SULFATE ION, ... | | 著者 | Cuskin, F, Flint, J.E, Morland, C, Basle, A, Henrissat, B, Countinho, P.M, Strazzulli, A, Solzehinkin, A, Davies, G.J, Gilbert, H.J, Gloster, T.M. | | 登録日 | 2012-07-11 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | How Nature Can Exploit Nonspecific Catalytic and Carbohydrate Binding Modules to Create Enzymatic Specificity
Proc.Natl.Acad.Sci.USA, 109, 2012
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5N6C
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with NAD and L-Tartrate | | 分子名称: | D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
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1KKQ
 | | Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif | | 分子名称: | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR | | 著者 | Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J. | | 登録日 | 2001-12-10 | | 公開日 | 2002-02-20 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
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2XXS
 | | Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG | | 分子名称: | PROTEIN MXIG | | 著者 | McDowell, M.A, Johnson, S, Deane, J.E, McDonnell, J.M, Lea, S.M. | | 登録日 | 2010-11-11 | | 公開日 | 2011-07-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and Functional Studies on the N-Terminal Domain of the Shigella Type III Secretion Protein Mxig.
J.Biol.Chem., 286, 2011
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2XZ0
 | | The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | | 分子名称: | 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | | 著者 | Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | | 登録日 | 2010-11-22 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
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