PDB: 7742 件ウェブページステータス検索Chemie searchBIRD

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4FIA	Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound 分子名称: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Stout, C.D, Pikuleva, I.A, Mast, N. 登録日 2012-06-08 公開日 2013-01-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response. J.Biol.Chem., 288, 2013
3LNK	Structure of BACE bound to SCH743813 分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide 著者 Orth, P, Cumming, J. 登録日 2010-02-02 公開日 2010-04-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
3L5D	Structure of BACE Bound to SCH723873 分子名称: 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
4COK	Functional and Structural Characterization of Pyruvate decarboxylase from Gluconoacetobacter diazotrophicus 分子名称: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, SULFATE ION, ... 著者 vanZyl, L.J, Schubert, W.-D, Tuffin, M, Cowan, D.A. 登録日 2014-01-29 公開日 2014-10-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure and Functional Characterization of Pyruvate Decarboxylase from Gluconacetobacter Diazotrophicus. Bmc Struct.Biol., 14, 2014
3LC5	Selective Benzothiophine Inhibitors of Factor IXa 分子名称: 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX 著者 Wang, S, Beck, R. 登録日 2010-01-09 公開日 2010-02-23 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors. J.Med.Chem., 53, 2010
3L5C	Structure of BACE Bound to SCH723871 分子名称: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
4HPY	Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide 分子名称: CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ... 著者 McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D. 登録日 2012-10-24 公開日 2013-02-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2. Immunity, 38, 2013
3QHQ	Structure of CRISPR-associated protein Csn2 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Sag0897 family CRISPR-associated protein 著者 Ellinger, P, Arslan, Z, Wurm, R, Tschapek, B, Pfeffer, K, Wagner, R, Schmitt, L, Pul, U, Smits, S.H. 登録日 2011-01-26 公開日 2012-02-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of CRISPR-associated protein Csn2 To be Published
4NIY	Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) 分子名称: CALCIUM ION, Cationic trypsin, Ecotin, ... 著者 Schoepfel, M, Parthier, C, Stubbs, M.T. 登録日 2013-11-08 公開日 2014-02-19 最終更新日 2014-03-19 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 N-terminal protein modification by substrate-activated reverse proteolysis. Angew.Chem.Int.Ed.Engl., 53, 2014
3CEN	Factor XA in complex with the inhibitor N-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide 分子名称: COAGULATION FACTOR X, HEAVY CHAIN, LIGHT CHAIN, ... 著者 Chang, C.-H. 登録日 2008-02-29 公開日 2008-05-20 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Activity Relationships of Anthranilamide-Based Factor Xa Inhibitors Containing Piperidinone and Pyridinone P4 Moieties Bioorg.Med.Chem.Lett., 18, 2008
3L5F	Structure of BACE Bound to SCH736201 分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
3Q5Y	V beta/V beta homodimerization-based pre-TCR model suggested by TCR beta crystal structures 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Chen, Q, Zhang, H, Wang, J.-H. 登録日 2010-12-30 公開日 2011-03-09 最終更新日 2014-10-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A conserved hydrophobic patch on Vbeta domains revealed by TCRbeta chain crystal structures: implications for pre-TCR dimerization Front Immunol, 2, 2011
4NXI	Rv2466c Mediates the Activation of TP053 To Kill Replicating and Non-replicating Mycobacterium tuberculosis 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein 著者 Albesa-Jove, D, Urresti, S, Comino, N, Guerin, M.E. 登録日 2013-12-09 公開日 2014-10-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.698 Å) 主引用文献 Rv2466c mediates the activation of TP053 to kill replicating and non-replicating Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
4HX1	Structure of HLA-A68 complexed with a tumor antigen derived peptide 分子名称: 9-mer peptide from Tyrosinase-related protein-2, Beta-2-microglobulin, GLYCEROL, ... 著者 Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F. 登録日 2012-11-09 公開日 2013-10-02 実験手法 X-RAY DIFFRACTION (1.802 Å) 主引用文献 Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes Mol.Immunol., 55, 2013
3QO4	The Crystal Structure of Death Receptor 6 分子名称: ACETATE ION, SULFATE ION, Tumor necrosis factor receptor superfamily member 21 著者 Kuester, M, Kemmerzehl, S, Dahms, S.O, Roeser, D, Than, M.E. 登録日 2011-02-09 公開日 2011-05-18 最終更新日 2012-02-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The crystal structure of death receptor 6 (DR6): a potential receptor of the amyloid precursor protein (APP). J.Mol.Biol., 409, 2011
4KZW	Structure of the carbohydrate-recognition domain of the C-type lectin mincle 分子名称: C-TYPE LECTIN MINCLE, CALCIUM ION, CITRATE ANION, ... 著者 Feinberg, H, Jegouzo, S.A.F, Rowntree, T.J.W, Guan, Y, Brash, M.A, Taylor, M.E, Weis, W.I, Drickamer, K. 登録日 2013-05-30 公開日 2013-08-28 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle. J.Biol.Chem., 288, 2013
3CS7	FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one 分子名称: 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one, CALCIUM ION, Coagulation factor X 著者 Alexander, R.S. 登録日 2008-04-09 公開日 2008-07-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa. Bioorg.Med.Chem.Lett., 18, 2008
1HUT	THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER 分子名称: ALPHA-Thrombin heavy chain, ALPHA-Thrombin light chain, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ... 著者 Padmanabhan, K, Padmanabhan, K.P, Ferrara, J.D, Sadler, J.E, Tulinsky, A. 登録日 1993-05-27 公開日 1994-06-22 最終更新日 2013-02-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer. J.Biol.Chem., 268, 1993
6DLP	Crystal structure of LRRK2 WD40 domain dimer 分子名称: Leucine-rich repeat serine/threonine-protein kinase 2, PLATINUM (II) ION 著者 Zhang, P, Ru, H, Wang, L, Wu, H. 登録日 2018-06-02 公開日 2019-01-09 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 Crystal structure of the WD40 domain dimer of LRRK2. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3VUV	Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum bound to zinc 分子名称: Erythrocyte membrane protein, putative, ZINC ION 著者 Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. 登録日 2012-07-09 公開日 2012-08-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.114 Å) 主引用文献 Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
6R6T	Crystal structure of mouse cis-aconitate decarboxylase 分子名称: Cis-aconitate decarboxylase 著者 Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W. 登録日 2019-03-28 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.535 Å) 主引用文献 Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
1IA3	Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... 著者 Whitlow, M, Howard, A.J, Kuyper, L.F. 登録日 2001-03-22 公開日 2001-04-11 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
3VUU	Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum 分子名称: CHLORIDE ION, Erythrocyte membrane protein, putative 著者 Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. 登録日 2012-07-09 公開日 2012-08-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.093 Å) 主引用文献 Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
6E08	Crystal structure of G6PD in complex with structural NADP 分子名称: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Rahighi, S, Mochly Rosen, D, Wakatsuki, S. 登録日 2018-07-06 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator. Nat Commun, 9, 2018
6E07	Crystal structure of Canton G6PD in complex with structural NADP 分子名称: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Rahighi, S, Mochly-Rosen, D, Wakatsuki, S. 登録日 2018-07-06 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator. Nat Commun, 9, 2018

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