PDB: 1143 件ウェブページステータス検索Chemie searchBIRD

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2W6O	Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment 分子名称: 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION 著者 Mochalkin, I, Miller, J.R. 登録日 2008-12-18 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6P	Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine 分子名称: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE 著者 Mochalkin, I, Miller, J.R. 登録日 2008-12-18 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6M	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series 分子名称: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION 著者 Mochalkin, I, Miller, J.R. 登録日 2008-12-18 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
3ETC	2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... 著者 Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. 登録日 2008-10-07 公開日 2009-07-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates. Proteins, 77, 2009
1YKC	human glutathione S-transferase m2-2 (E.C.2.5.1.18) complexed with glutathione-disulfide 分子名称: Glutathione S-transferase Mu 2, OXIDIZED GLUTATHIONE DISULFIDE 著者 Patskovsky, Y.V, Patskovska, L.N, Listowsky, I, Almo, S.C. 登録日 2005-01-17 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Selective Inhibitors of Prostaglandin Synthase activity of human glutathione S-transferase M2-2 To be Published
3NTG	Crystal structure of COX-2 with selective compound 23d-(R) 分子名称: (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 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 Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. 登録日 2010-07-04 公開日 2010-10-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
8BQS	Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... 著者 Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A. 登録日 2022-11-21 公開日 2023-08-23 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex To Be Published
8B6F	Cryo-EM structure of NADH:ubiquinone oxidoreductase (complex-I) from respiratory supercomplex of Tetrahymena thermophila 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... 著者 Muhleip, A, Kock Flygaard, R, Amunts, A. 登録日 2022-09-27 公開日 2023-03-29 最終更新日 2023-04-12 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
9GSS	HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ... 著者 Oakley, A, Parker, M. 登録日 1997-08-14 公開日 1998-09-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
6P9L	Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ... 著者 Capodagli, G.C, Neiditch, M.B. 登録日 2019-06-10 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.305 Å) 主引用文献 A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA. Cell Chem Biol, 27, 2020
6P9M	Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Capodagli, G.C, Neiditch, M.B. 登録日 2019-06-10 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.256 Å) 主引用文献 A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA. Cell Chem Biol, 27, 2020
6P9K	Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G 分子名称: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Capodagli, G.C, Neiditch, M.B. 登録日 2019-06-10 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.703 Å) 主引用文献 A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA. Cell Chem Biol, 27, 2020
3BKX	Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase-like protein (YP_807781.1) from Lactobacillus casei ATCC 334 at 1.85 A resolution 分子名称: CHLORIDE ION, SAM-dependent methyltransferase 著者 Joint Center for Structural Genomics (JCSG) 登録日 2007-12-07 公開日 2007-12-18 最終更新日 2023-01-25 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase-like protein (YP_807781.1) from Lactobacillus casei ATCC 334 at 1.85 A resolution To be published
6D6Y	AprA Methyltransferase 2 - GNAT didomain in complex with SAH 分子名称: AprA Methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, trimethylamine oxide 著者 Sikkema, A.P, Smith, J.L. 登録日 2018-04-23 公開日 2018-05-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.246 Å) 主引用文献 Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module. ACS Chem. Biol., 13, 2018
6G2I	Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution 分子名称: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein 著者 Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. 登録日 2018-03-23 公開日 2018-06-13 最終更新日 2019-12-11 実験手法 ELECTRON MICROSCOPY (5.9 Å) 主引用文献 Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
6G2H	Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution 分子名称: Acetyl-CoA carboxylase 1 著者 Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. 登録日 2018-03-23 公開日 2018-06-13 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (4.6 Å) 主引用文献 Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
6G2D	Citrate-induced acetyl-CoA carboxylase (ACC-Cit) filament at 5.4 A resolution 分子名称: Acetyl-CoA carboxylase 1 著者 Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. 登録日 2018-03-23 公開日 2018-06-13 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (5.4 Å) 主引用文献 Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
5OVL	crystal structure of MabA bound to NADP+ from M. smegmatis 分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. 登録日 2017-08-29 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA. Acta Crystallogr D Struct Biol, 74, 2018
1KBN	Glutathione transferase mutant 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLYCEROL, ... 著者 Rossjohn, J, Parker, M.W. 登録日 2001-11-06 公開日 2003-11-11 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of Glutathione transferase mutant To be Published
3GPC	Crystal structure of human Acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a complex with CoA 分子名称: Acyl-coenzyme A synthetase ACSM2A, COENZYME A, MAGNESIUM ION 著者 Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2009-03-23 公開日 2009-04-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A J.Mol.Biol., 388, 2009
3B7W	Crystal structure of human acyl-CoA synthetase medium-chain family member 2A, with L64P mutation 分子名称: Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, CHLORIDE ION, ... 著者 Pilka, E.S, Kochan, G.T, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2007-10-31 公開日 2007-11-27 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
5OVK	Crystal structure MabA bound to NADPH from M. smegmatis 分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. 登録日 2017-08-29 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA. Acta Crystallogr D Struct Biol, 74, 2018
3C5E	Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with ATP 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A synthetase ACSM2A, ... 著者 Pilka, E.S, Kochan, G.T, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2008-01-31 公開日 2008-02-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
5OVJ	Structure of the apo form of Mycobacterium smegmatis MabA 分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, SULFATE ION 著者 Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. 登録日 2017-08-29 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA. Acta Crystallogr D Struct Biol, 74, 2018
6COX	CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP 分子名称: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ... 著者 Kurumbail, R, Stallings, W. 登録日 1996-12-18 公開日 1997-12-24 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents. Nature, 384, 1996

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