6FAJ
 
 | | The structure of Human Methionine Adenosyltransferase II in apo state | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-2, ... | | 著者 | Bradley-Clarke, J, Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | 登録日 | 2017-12-15 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds
Febs J., 2020
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5FEE
 | | EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | | 著者 | DiDonato, M, Spraggon, G. | | 登録日 | 2015-12-16 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
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3B9E
 | | Crystal structure of inactive mutant E315M chitinase A from Vibrio harveyi | | 分子名称: | Chitinase A | | 著者 | Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W. | | 登録日 | 2007-11-05 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
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2WXV
 | | Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | 著者 | Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G. | | 登録日 | 2009-11-10 | | 公開日 | 2010-02-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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2WIP
 | | STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID | | 分子名称: | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... | | 著者 | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | | 登録日 | 2009-05-14 | | 公開日 | 2009-07-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
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5FED
 | | EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | | 著者 | DiDonato, M, Spraggon, G. | | 登録日 | 2015-12-16 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
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3B8S
 | | Crystal structure of wild-type chitinase A from Vibrio harveyi | | 分子名称: | Chitinase A | | 著者 | Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W. | | 登録日 | 2007-11-01 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
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5H16
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate at 2.3 A resolution. | | 分子名称: | CITRIC ACID, Phosphopantetheine adenylyltransferase | | 著者 | Gupta, A, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2016-10-08 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii at 2.3 A resolution.
To Be Published
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3B9A
 | | Crystal structure of Vibrio harveyi chitinase A complexed with hexasaccharide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | 著者 | Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W. | | 登録日 | 2007-11-03 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
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5ESM
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with fluconazole | | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
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7XNF
 | | Structure of SARS-CoV-2 antibody P2C-1F11 with GX/P2V/2017 RBD | | 分子名称: | P2C-1F11 Heavy Chain, P2C-1F11 Lambda chain, Spike protein S1 | | 著者 | Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F. | | 登録日 | 2022-04-28 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
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5NP9
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5BQH
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | 分子名称: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | | 著者 | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | 登録日 | 2015-05-29 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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7XSW
 | | Structure of SARS-CoV-2 antibody S309 with GX/P2V/2017 RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Lambda Chain, ... | | 著者 | Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F. | | 登録日 | 2022-05-15 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
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4OVO
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2NPA
 | | the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid | | 分子名称: | (2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID, Peroxisome proliferator-activated receptor alpha, SRC- peptide from Nuclear receptor coactivator 1 | | 著者 | Kim, K.H, Chung, H.K, Han, H.O, Kim, S.H, Koh, J.S, Kim, G.T. | | 登録日 | 2006-10-26 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists
Bioorg.Med.Chem.Lett., 17, 2007
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5AFP
 | | Neuronal calcium sensor-1 (NCS-1)from Rattus norvegicus complex with rhodopsin kinase peptide from Homo sapiens | | 分子名称: | CALCIUM ION, NEURONAL CALCIUM SENSOR 1, RHODOPSIN KINASE, ... | | 著者 | Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y. | | 登録日 | 2015-01-23 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-Protein Coupled Receptor Kinase 1 (Grk1) Peptides Using Different Modes of Interactions.
J.Biol.Chem., 290, 2015
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5EST
 | | Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate | | 分子名称: | CALCIUM ION, ELASTASE, N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide, ... | | 著者 | Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F. | | 登録日 | 1989-05-15 | | 公開日 | 1992-04-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate.
Biochemistry, 28, 1989
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2MAS
 | | PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR | | 分子名称: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE | | 著者 | Degano, M, Schramm, V.L, Sacchettini, J.C. | | 登録日 | 1996-10-17 | | 公開日 | 1997-08-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor.
Biochemistry, 37, 1998
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6HHV
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine | | 分子名称: | 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine, Aspartate--tRNA(Asp) ligase | | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2018-08-29 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6HHX
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine | | 分子名称: | 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine, Aspartate--tRNA(Asp) ligase | | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2018-08-29 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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2Z98
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2Z9D
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6HHW
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine | | 分子名称: | 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine, Aspartate--tRNA(Asp) ligase | | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2018-08-29 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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4Y9S
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