3NXO
 
 | Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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3NXV
 
 | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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2GQX
 
 | Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene | 分子名称: | 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ... | 著者 | Rao, Z, Wong, L.L, Xu, F, Bell, S.G. | 登録日 | 2006-04-22 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam Protein Eng.Des.Sel., 20, 2007
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2BEL
 
 | Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone | 分子名称: | CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | 著者 | Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U. | 登録日 | 2004-11-25 | 公開日 | 2004-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture To be Published
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2C2S
 
 | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate | 分子名称: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | 著者 | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | 登録日 | 2005-09-29 | 公開日 | 2007-04-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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3NXY
 
 | Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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1CW1
 
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4A16
 
 | Structure of mouse Acetylcholinesterase complex with Huprine derivative | 分子名称: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | 登録日 | 2011-09-14 | 公開日 | 2012-03-28 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography. Chemmedchem, 7, 2012
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2RGQ
 
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1T2F
 
 | Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | 分子名称: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | 登録日 | 2004-04-21 | 公開日 | 2004-05-11 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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5T6N
 
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2CY5
 
 | Crystal structure of phosphotyrosine binding (PTB) domain of epidermal growth factor receptor pathway substrate-8 (EPS8) related protein 1 from Mus musculus (form-2 crystal) | 分子名称: | CALCIUM ION, epidermal growth factor receptor pathway substrate 8-like protein 1 | 著者 | Mizohata, E, Hamana, H, Morita, S, Kinoshita, Y, Nagano, K, Uda, H, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2005-07-04 | 公開日 | 2006-01-04 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of phosphotyrosine binding (PTB) domain of epidermal growth factor receptor pathway substrate-8 (EPS8) related protein 1 from Mus musculus (form-2 crystal) To be Published
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4IS0
 
 | Structural Insights into Omega-Class Glutathione Transferases: A Snapshot of Enzyme Reduction and Identification of the Non-Catalytic Ligandin Site. | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Glutathione S-transferase omega-1, L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine, ... | 著者 | Brock, J, Oakley, A.J. | 登録日 | 2013-01-15 | 公開日 | 2013-04-24 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | 主引用文献 | Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site. Plos One, 8, 2013
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3PQD
 
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2PDG
 
 | Human aldose reductase with uracil-type inhibitor at 1.42A. | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-03-31 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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4OTJ
 
 | The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide | 分子名称: | (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | 登録日 | 2014-02-13 | 公開日 | 2015-04-08 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. Acs Chem.Biol., 11, 2016
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2A91
 
 | Crystal structure of ErbB2 domains 1-3 | 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, Receptor tyrosine-protein kinase erbB-2 | 著者 | Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Kofler, M, Jorissen, R.N, Nice, E.C, Burgess, A.W. | 登録日 | 2005-07-11 | 公開日 | 2005-07-26 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Crystal Structure of a Truncated ErbB2 Ectodomain Reveals an Active Conformation, Poised to Interact with Other ErbB Receptors Mol.Cell, 11, 2003
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4GM7
 
 | Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution. | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2012-08-15 | 公開日 | 2012-09-19 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution To be Published
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3VT7
 
 | Crystal structures of rat VDR-LBD with W282R mutation | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | 著者 | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | 登録日 | 2012-05-19 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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5XFI
 
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2PPE
 
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1IKO
 
 | CRYSTAL STRUCTURE OF THE MURINE EPHRIN-B2 ECTODOMAIN | 分子名称: | EPHRIN-B2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Toth, J, Cutforth, T, Gelinas, A.D, Bethoney, K.A, Bard, J, Harrison, C.J. | 登録日 | 2001-05-03 | 公開日 | 2002-05-03 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Crystal structure of an ephrin ectodomain. Dev.Cell, 1, 2001
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4FGG
 
 | S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor | 分子名称: | (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-06-04 | 公開日 | 2013-01-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines. Chemmedchem, 7, 2012
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3ML1
 
 | Crystal Structure of the Periplasmic Nitrate Reductase from Cupriavidus necator | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIOXOTHIOMOLYBDENUM(VI) ION, Diheme cytochrome c napB, ... | 著者 | Coelho, C, Trincao, J, Romao, M.J. | 登録日 | 2010-04-16 | 公開日 | 2011-04-06 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The crystal structure of Cupriavidus necator nitrate reductase in oxidized and partially reduced states J.Mol.Biol., 408, 2011
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5QIB
 
 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione, 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 (1.48 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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