6LU6
| Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | 分子名称: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | 著者 | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | 登録日 | 2020-01-26 | 公開日 | 2021-04-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.970063 Å) | 主引用文献 | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
|
|
3FZO
| Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase | 分子名称: | Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
|
|
3FZR
| Crystal structure of PYK2 complexed with PF-431396 | 分子名称: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
|
|
3FUR
| Crystal Structure of PPARg in complex with INT131 | 分子名称: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | 著者 | Wang, Z, Liu, J, Walker, N. | 登録日 | 2009-01-14 | 公開日 | 2009-06-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
|
|
3G5D
| Kinase domain of cSrc in complex with Dasatinib | 分子名称: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src | 著者 | Grutter, C, Kluter, S, Rauh, D. | 登録日 | 2009-02-05 | 公開日 | 2009-06-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009
|
|
2ONO
| |
3GCV
| Human P38 MAP Kinase in Complex with RL62 | 分子名称: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | 登録日 | 2009-02-22 | 公開日 | 2009-06-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
|
|
2ONM
| Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+ | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ... | 著者 | Larson, H.N, Hurley, T.D. | 登録日 | 2007-01-24 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487. J.Biol.Chem., 282, 2007
|
|
6R36
| T. brucei farnesyl pyrophosphate synthase (FPPS) | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | 登録日 | 2019-03-19 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase. Chembiochem, 21, 2020
|
|
3GAT
| SOLUTION NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, 34 STRUCTURES | 分子名称: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ... | 著者 | Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M. | 登録日 | 1997-11-07 | 公開日 | 1998-01-28 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution. Nat.Struct.Biol., 4, 1997
|
|
6N2K
| Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | 分子名称: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Vigers, G.P. | 登録日 | 2018-11-13 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
|
|
2OT5
| |
6SSV
| |
4Z3J
| Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1 | 分子名称: | PapG, lectin domain | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
|
|
6SMB
| Human jak1 kinase domain in complex with inhibitor | 分子名称: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | 著者 | Read, J.A, Steuber, H. | 登録日 | 2019-08-21 | 公開日 | 2020-04-29 | 最終更新日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J.Med.Chem., 63, 2020
|
|
6MZI
| CryoEM structure of human enterovirus D68 expanded 1 particle (pH 6.5, 4 degrees Celsius, 3 min) | 分子名称: | viral protein 1, viral protein 2, viral protein 3, ... | 著者 | Liu, Y, Rossmann, M.G. | 登録日 | 2018-11-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | 主引用文献 | Molecular basis for the acid-initiated uncoating of human enterovirus D68. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
3E4H
| Crystal structure of the cyclotide varv F | 分子名称: | Varv peptide F,Varv peptide F | 著者 | Hu, S.H. | 登録日 | 2008-08-11 | 公開日 | 2009-02-10 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Combined X-ray and NMR Analysis of the Stability of the Cyclotide Cystine Knot Fold That Underpins Its Insecticidal Activity and Potential Use as a Drug Scaffold J.Biol.Chem., 284, 2009
|
|
4Z93
| BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18. | 分子名称: | 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2015-04-09 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors. J.Med.Chem., 58, 2015
|
|
6ST3
| HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide | 分子名称: | 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ... | 著者 | Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J. | 登録日 | 2019-09-10 | 公開日 | 2019-12-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.426 Å) | 主引用文献 | Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors. Chemmedchem, 15, 2020
|
|
4WY1
| Crystal structure of human BACE-1 bound to Compound 24B | 分子名称: | (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1 | 著者 | Vajdos, F.F, Parris, K. | 登録日 | 2014-11-14 | 公開日 | 2015-03-04 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
|
|
6RV0
| human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | 著者 | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | 登録日 | 2019-05-30 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1. Biochem.J., 476, 2019
|
|
4Z3F
| Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P21 | 分子名称: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PapG, lectin domain, ... | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
|
|
6N2J
| Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | 分子名称: | 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Vigers, G.P. | 登録日 | 2018-11-13 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
|
|
6RLW
| |
6ROU
| REP related 18-mer DNA | 分子名称: | REP related 18-mer DNA from H. parasuis, STRONTIUM ION | 著者 | Kolenko, P, Svoboda, J, Schneider, B. | 登録日 | 2019-05-13 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | 主引用文献 | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches. Acta Crystallogr D Struct Biol, 76, 2020
|
|