PDB: 96046 件ウェブページステータス検索Chemie searchBIRD

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4YTC	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease 分子名称: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 著者 Zuccola, H.J, Ledeboer, M. 登録日 2015-03-17 公開日 2015-08-12 最終更新日 2015-10-07 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
2ORD	Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 A resolution 分子名称: Acetylornithine aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE 著者 Joint Center for Structural Genomics (JCSG) 登録日 2007-02-02 公開日 2007-02-13 最終更新日 2023-01-25 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 A resolution To be published
4YTH	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases 分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2 著者 Ledeboer, M.W, Zuccola, H.J. 登録日 2015-03-17 公開日 2015-08-12 最終更新日 2016-07-20 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
6EWJ	Putative sugar aminotransferase Spr1654 from Streptococcus pneumoniae, apo-form 分子名称: Putative capsular polysaccharide biosynthesis protein 著者 Achour, A, Sun, R, Sandalova, T, Han, X. 登録日 2017-11-04 公開日 2018-05-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis inStreptococcus pneumoniae. Open Biol, 8, 2018
5EQR	Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir 分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, SULFATE ION, ... 著者 Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. 登録日 2015-11-13 公開日 2016-11-23 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
6EWR	Putative sugar aminotransferase Spr1654 from Streptococcus pneumoniae, PMP-form 分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Putative capsular polysaccharide biosynthesis protein 著者 Achour, A, Sun, R, Sandalova, T, Han, X. 登録日 2017-11-06 公開日 2018-05-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis inStreptococcus pneumoniae. Open Biol, 8, 2018
3SGU	Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-UMP 分子名称: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase 著者 Liu, Y, Kotra, L.P, Pai, E.F. 登録日 2011-06-15 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-UMP To be Published
1FEA	UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.2 ANGSTROM RESOLUTION 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE 著者 Strickland, C, Karplus, P. 登録日 1995-07-12 公開日 1997-01-11 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution To be Published
5EQS	Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir 分子名称: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protease, ZINC ION 著者 Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. 登録日 2015-11-13 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.839 Å) 主引用文献 Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
3THQ	Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase 著者 Liu, Y, Kotra, L.P, Pai, E.F. 登録日 2011-08-19 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP To be Published
3SSJ	Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP 分子名称: 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase 著者 Liu, Y, Kotra, L.P, Pai, E.F. 登録日 2011-07-08 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP To be Published
5ESB	Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir 分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ... 著者 Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. 登録日 2015-11-16 公開日 2016-11-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
5YHV	Crystal structure of an aminotransferase from Mycobacterium tuberculosis 分子名称: 2-OXOGLUTARIC ACID, Aminotransferase, GLUTAMIC ACID, ... 著者 Saroj, D.C, Biswal, B.K. 登録日 2017-09-30 公開日 2018-10-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of an aminotransferase from Mycobacterium tuberculosis To Be Published
6YK4	Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-6-methyl-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.00A 分子名称: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ... 著者 Frydenvang, K, Kastrup, J.S. 登録日 2020-04-05 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.999 Å) 主引用文献 Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci, 11, 2020
1FEC	UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 1.7 ANGSTROM RESOLUTION 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE 著者 Strickland, C, Karplus, P. 登録日 1995-07-12 公開日 1997-01-11 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution To be Published
3QM2	2.25 Angstrom Crystal Structure of Phosphoserine Aminotransferase (SerC) from Salmonella enterica subsp. enterica serovar Typhimurium 分子名称: CALCIUM ION, Phosphoserine aminotransferase 著者 Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2011-02-03 公開日 2011-02-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 2.25 Angstrom Crystal Structure of Phosphoserine Aminotransferase (SerC) from Salmonella enterica subsp. enterica serovar Typhimurium. TO BE PUBLISHED
4E3R	PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis 分子名称: Pyruvate transaminase, SODIUM ION, SULFATE ION 著者 Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. 登録日 2012-03-10 公開日 2012-10-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng.Des.Sel., 26, 2013
3P1T	Crystal structure of a putative aminotransferase (BPSL1724) from Burkholderia pseudomallei K96243 at 2.60 A resolution 分子名称: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, Putative histidinol-phosphate aminotransferase, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2010-09-30 公開日 2010-10-20 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of a putative aminotransferase (BPSL1724) from Burkholderia pseudomallei K96243 at 2.60 A resolution To be published
6YK3	Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.20A 分子名称: (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione, AMMONIUM ION, CHLORIDE ION, ... 著者 Frydenvang, K, Kastrup, J.S. 登録日 2020-04-05 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci, 11, 2020
8SC3	Human OCT1 bound to fenoterol in inward-open conformation 分子名称: Fenoterol, Solute carrier family 22 member 1 著者 Zeng, Y.C, Sobti, M, Stewart, A.G. 登録日 2023-04-04 公開日 2023-10-18 最終更新日 2023-10-25 実験手法 ELECTRON MICROSCOPY (3.24 Å) 主引用文献 Structural basis of promiscuous substrate transport by Organic Cation Transporter 1. Nat Commun, 14, 2023
8CJH	Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin 分子名称: Colibactin hybrid non-ribosomal peptide synthetase/type I polyketide synthase ClbK 著者 Bonhomme, S, Dessen, A, Macheboeuf, P. 登録日 2023-02-13 公開日 2023-04-26 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.982 Å) 主引用文献 Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin. Structure, 31, 2023
6G1F	Crystal structure of D-phenylglycine aninotransferase (D-PhgAT) from Pseudomonas stutzeri with PLP internal aldimine 分子名称: D-phenylglycine aminotransferase 著者 Serpico, A, Marles-Wright, J, Campopiano, D.J. 登録日 2018-03-21 公開日 2019-04-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.248 Å) 主引用文献 D-Phenylglycine aminotransferase (D-PhgAT) – substrate scope and structural insights of a stereo-inverting biocatalyst used in the preparation of aromatic amino acids Catalysis Science And Technology, 2020
4YTF	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases 分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 著者 Farmer, L, Ledeboer, M.W, Zuccola, H.J. 登録日 2015-03-17 公開日 2015-08-12 最終更新日 2015-10-07 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
5DWM	Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis 分子名称: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2015-09-22 公開日 2015-12-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis to be published
1FEB	UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.0 ANGSTROM RESOLUTION 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE 著者 Strickland, C, Karplus, P. 登録日 1995-07-12 公開日 1997-01-11 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution To be Published

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