PDB: 55616 件ウェブページステータス検索Chemie searchBIRD

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4DVT	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-II-37 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2012-02-23 公開日 2013-02-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
4DE2	CTX-M-9 class A beta-lactamase complexed with compound 12 分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
5A9T	Imine Reductase from Amycolatopsis orientalis in complex with (R)- Methyltetrahydroisoquinoline 分子名称: (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline, ACETATE ION, CALCIUM ION, ... 著者 Man, H, Aleku, G, Turner, N.J, Grogan, G. 登録日 2015-07-22 公開日 2016-06-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Stereoselectivity and Structural Characterization of an Imine Reductase (Ired) from Amycolatopsis Orientalis Acs Catalysis, 6, 2016
2VMN	Crystal structure of N341AbsSHMT internal aldimine 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Rajaram, V, Pai, V.R, Bisht, S, Bhavani, B.S, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. 登録日 2008-01-29 公開日 2008-12-16 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structural and Functional Studies of Bacillus Stearothermophilus Serine Hydroxymethyltransferase: The Role of Asn(341), Tyr(60) and Phe(351) in Tetrahydrofolate Binding. Biochem.J., 418, 2009
4DVS	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-557 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2012-02-23 公開日 2013-02-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
6M01	The structure of HitB-HitD complex 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... 著者 Miyanaga, A, Kurihara, S, Kudo, F, Eguchi, T. 登録日 2020-02-19 公開日 2020-07-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Characterization of Complex of Adenylation Domain and Carrier Protein by Using Pantetheine Cross-Linking Probe. Acs Chem.Biol., 15, 2020
2VMQ	Structure of N341AbsSHMT crystallized in the presence of L-allo-Thr 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, PHOSPHATE ION, ... 著者 Rajaram, V, Pai, V.R, Bisht, S, Bhavani, B.S, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. 登録日 2008-01-29 公開日 2008-12-16 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Structural and Functional Studies of Bacillus Stearothermophilus Serine Hydroxymethyltransferase: The Role of Asn(341), Tyr(60) and Phe(351) in Tetrahydrofolate Binding. Biochem.J., 418, 2009
4I8W	Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 分子名称: 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease 著者 Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. 登録日 2012-12-04 公開日 2013-07-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
5MHG	Crystal structure of anti-T4 Fab fragment with tetraiodoBPA 分子名称: Fab-Fragment, SULFATE ION, TETRAIODOBISPHENOLA 著者 Parkkinen, T, Rouvinen, J. 登録日 2016-11-24 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.801 Å) 主引用文献 Crystal structures of anti-T4 Fab fragment To Be Published
5A8Z	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... 著者 von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. 登録日 2015-07-17 公開日 2016-08-03 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
4I8Z	Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease 著者 Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. 登録日 2012-12-04 公開日 2013-07-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
4DAI	Crystal structure of B. anthracis DHPS with compound 23 分子名称: (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION 著者 Hammoudeh, D, Lee, R.E, White, S.W. 登録日 2012-01-12 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
4LVW	Structure of the THF riboswitch bound to 7-deazaguanine 分子名称: 7-DEAZAGUANINE, THF riboswitch 著者 Trausch, J.J, Batey, R.T. 登録日 2013-07-26 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.768 Å) 主引用文献 A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
5YJO	Crystal structure of SmyD3 in complex with covalent inhibitor 4 分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ... 著者 Baburajendran, N, Anna E, J. 登録日 2017-10-11 公開日 2018-10-17 最終更新日 2019-07-10 実験手法 X-RAY DIFFRACTION (2.135 Å) 主引用文献 Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3. Acs Med.Chem.Lett., 10, 2019
8QQZ	Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 8.0 分子名称: Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE 著者 Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. 登録日 2023-10-06 公開日 2024-04-24 実験手法 ELECTRON MICROSCOPY (2.63 Å) 主引用文献 A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
4DDY	CTX-M-9 class A beta-lactamase complexed with compound 10 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
7T1W	Crystal structure of human Fab A194-01 in complex with its synthetic tetrasaccharide Ara4 epitope (BSI110886) 分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Fab A194-01 heavy chain, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-02 公開日 2022-12-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Crystal structure of human Fab A194-01 in complex with its synthetic tetrasaccharide Ara4 epitope (BSI110886) to be published
2VMZ	Crystal structure of F351GbsSHMT in complex with Gly 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCINE, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Rajaram, V, Pai, V.R, Bisht, S, Bhavani, B.S, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. 登録日 2008-01-29 公開日 2008-12-16 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and Functional Studies of Bacillus Stearothermophilus Serine Hydroxymethyltransferase: The Role of Asn(341), Tyr(60) and Phe(351) in Tetrahydrofolate Binding. Biochem.J., 418, 2009
3ZI4	The structure of Beta-phosphoglucomutase Inhibited With Glucose-6-phosphate and Scandium Tetrafluoride 分子名称: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... 著者 Pellegrini, E, Bowler, M.W. 登録日 2013-01-03 公開日 2014-01-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Metal Fluorides: Multi-Functional Tools for the Study of Phosphoryl Transfer Enzymes To be Published
3N2U	Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(4-methoxy-N(2-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)ethyl)phenylsulfonamido)acetamide 分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide, ... 著者 Calderone, V. 登録日 2010-05-19 公開日 2010-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs). Eur.J.Med.Chem., 45, 2010
4E3L	Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4299 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
3SKG	Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide 分子名称: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1 著者 Muckelbauer, J.K. 登録日 2011-06-22 公開日 2011-09-07 最終更新日 2012-12-05 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
4E3N	Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4HDP	Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519 分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... 著者 Shen, C.H, Zhang, H, Weber, I.T. 登録日 2012-10-02 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013

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