PDB: 83630 件ウェブページステータス検索Chemie searchBIRD

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7N8M	PptT PAP(CoA) 8978B complex 分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ... 著者 Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2021-06-15 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas. J.Med.Chem., 65, 2022
7N8E	PptT PAP(CoA) 9056 complex 分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ... 著者 Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2021-06-14 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas. J.Med.Chem., 65, 2022
3IOB	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.80 Ang resolution in complex with 5'-deoxy-5'-thioadenosine 分子名称: 5'-thioadenosine, ETHANOL, GLYCEROL, ... 著者 Ciulli, A, Scott, D.E, Abell, C. 登録日 2009-08-14 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
3IOE	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.95 Ang resolution in complex with 5'-deoxy-5'-((R)-3,4-dihydroxybutylthio)-adenosine 分子名称: 5'-S-[(3R)-3,4-dihydroxybutyl]-5'-thioadenosine, ETHANOL, GLYCEROL, ... 著者 Ciulli, A, Scott, D.E, Abell, C. 登録日 2009-08-14 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
4M7X	Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... 著者 Mottaghi, K, Hong, B, Tempel, W, Park, H. 登録日 2013-08-12 公開日 2014-09-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ACS Infect Dis, 2, 2016
2C1U	CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - OXIDISED FORM 分子名称: CALCIUM ION, DI-HAEM CYTOCHROME C PEROXIDASE, HEME C 著者 Echalier, A, Fulop, V. 登録日 2005-09-21 公開日 2006-01-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus Structure, 14, 2006
2C1V	CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - Mixed VALENCE FORM 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI-HAEM CYTOCHROME C PEROXIDASE, ... 著者 Echalier, A, Fulop, V. 登録日 2005-09-21 公開日 2006-01-13 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus Structure, 14, 2006
3IOC	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine 分子名称: (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol, GLYCEROL, Pantothenate synthetase 著者 Ciulli, A, Scott, D.E, Abell, C. 登録日 2009-08-14 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
3IOD	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.75 Ang resolution in complex with 5'-deoxy-5'-((3-nitrobenzyl)disulfanyl)-adenosine 分子名称: (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol, ETHANOL, GLYCEROL, ... 著者 Ciulli, A, Scott, D.E, Abell, C. 登録日 2009-08-14 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
2YI9	Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus in complex with magnesium 分子名称: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... 著者 Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. 登録日 2011-05-11 公開日 2011-07-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment. Plos Pathog., 7, 2011
4M7Y	Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog 分子名称: ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... 著者 Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) 登録日 2013-08-12 公開日 2014-09-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ACS Infect Dis, 2, 2016
2ZP3	Carboxylic ester hydrolase, single mutant d49n of bovine pancreatic pla2 enzyme 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... 著者 Kanaujia, S.P, Sekar, K. 登録日 2008-06-27 公開日 2008-11-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures and molecular-dynamics studies of three active-site mutants of bovine pancreatic phospholipase A(2) Acta Crystallogr.,Sect.D, 64, 2008
7T79	CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE 分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate 著者 Muckelbauer, J.K. 登録日 2021-12-14 公開日 2022-03-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132). J.Med.Chem., 65, 2022
7T78	CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE 分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ... 著者 Muckelbauer, J.K. 登録日 2021-12-14 公開日 2022-03-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132). J.Med.Chem., 65, 2022
8V4U	Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor 分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide 著者 Greasley, S.E, Ferre, R.A, Liu, W. 登録日 2023-11-29 公開日 2024-05-15 最終更新日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.819 Å) 主引用文献 A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19. J.Med.Chem., 67, 2024
6J8R	Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... 著者 Li, G.-B, Liu, S. 登録日 2019-01-21 公開日 2019-07-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.575 Å) 主引用文献 Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
2V35	Porcine Pancreatic Elastase in complex with inhibitor JM54 分子名称: (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID, ELASTASE-1, GLYCEROL, ... 著者 Oliveira, T.F, Mulchande, J, Martins, L, Moreira, R, Iley, J, Archer, M. 登録日 2007-06-12 公開日 2008-06-24 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 The Efficiency of C-4 Substituents in Activating the Beta-Lactam Scaffold Towards Serine Proteases and Hydroxide Ion. Org.Biomol.Chem., 5, 2007
6GX7	Tubulin-CopN-alphaRep complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Gigant, B, Campanacci, V. 登録日 2018-06-26 公開日 2019-04-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.19 Å) 主引用文献 Insight into microtubule nucleation from tubulin-capping proteins. Proc.Natl.Acad.Sci.USA, 116, 2019
4K8K	Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine 分子名称: 1-(4-methoxyphenyl)cyclopropanecarboxylic acid, 1H-perimidin-2-amine, ADENOSINE, ... 著者 Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2013-04-18 公開日 2013-05-01 最終更新日 2013-05-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine To be Published
1BTI	CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A 分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR 著者 Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A. 登録日 1991-07-11 公開日 1993-10-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A. Protein Sci., 2, 1993
2XE4	Structure of Oligopeptidase B from Leishmania major 分子名称: ANTIPAIN, CHLORIDE ION, GLYCEROL, ... 著者 McLuskey, K, Paterson, N.G, Bland, N.D, Mottram, J.C, Isaacs, N.W. 登録日 2010-05-11 公開日 2010-10-06 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal Structure of Leishmania Major Oligopeptidase B Gives Insight Into the Enzymatic Properties of a Trypanosomatid Virulence Factor. J.Biol.Chem., 285, 2010
2YOP	Long wavelength S-SAD structure of FAM3B PANDER 分子名称: GLYCEROL, PROTEIN FAM3B 著者 Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. 登録日 2012-10-26 公開日 2013-01-30 最終更新日 2013-02-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
2YOQ	Structure of FAM3B PANDER E30 construct 分子名称: GLYCEROL, PROTEIN FAM3B 著者 Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. 登録日 2012-10-26 公開日 2013-01-30 最終更新日 2013-02-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
2W67	BtGH84 in complex with FMA34 分子名称: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... 著者 He, Y, Davies, G.J. 登録日 2008-12-17 公開日 2009-04-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
2W66	BtGH84 in complex with HQ602 分子名称: CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... 著者 He, Y, Davies, G.J. 登録日 2008-12-17 公開日 2009-04-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009

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