5L32
 
 | |
4N4V
 | |
4N3R
 | | Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide) | | 分子名称: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION | | 著者 | Huang, X. | | 登録日 | 2013-10-07 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
|
|
4N4T
 | |
7ONO
 | |
7ONY
 | | Crystal structure of PBP3 from P. aeruginosa | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | | 登録日 | 2021-05-26 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
|
|
7ONK
 | | Crystal structure of PBP3 from P. aeruginosa in complex with AIC499 | | 分子名称: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, CHLORIDE ION, GLYCEROL, ... | | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | | 登録日 | 2021-05-25 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
|
|
7ONZ
 | |
7ONW
 | | Crystal structure of PBP3 from E. coli in complex with AIC499 | | 分子名称: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | | 登録日 | 2021-05-26 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
|
|
7ONN
 | | Crystal structure of PBP3 transpeptidase domain from E. coli in complex with AIC499 | | 分子名称: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, DODECAETHYLENE GLYCOL, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | | 登録日 | 2021-05-25 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
|
|
7ONX
 | | Crystal structure of PBP3 from P. aeruginosa | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | | 登録日 | 2021-05-26 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
|
|
7NY7
 | | Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1 | | 著者 | Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G. | | 登録日 | 2021-03-21 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7NY6
 | | Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone macroH2A1.1 | | 著者 | Knobloch, G, Guberovic, I, Basquin, J, Buschbeck, M, Ladurner, A.G. | | 登録日 | 2021-03-21 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
|
|
6GJG
 | | Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine | | 分子名称: | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Rowland, P. | | 登録日 | 2018-05-16 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity.
ACS Omega, 3, 2018
|
|
6Y2J
 | | Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ... | | 著者 | Chung, C. | | 登録日 | 2020-02-16 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | | 主引用文献 | Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
|
|
2W9O
 | | Solution structure of jerdostatin from Trimeresurus jerdonii | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-27 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
|
|
2W9W
 | | Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-29 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
|
|
2W9V
 | | Solution structure of jerdostatin from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-29 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
|
|
2W9U
 | | Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii | | 分子名称: | SHORT DISINTEGRIN JERDOSTATIN | | 著者 | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | 登録日 | 2009-01-29 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
|
|
8TGD
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | | 分子名称: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | | 著者 | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | 登録日 | 2023-07-12 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.928 Å) | | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
|
|
8TDU
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | | 分子名称: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | 登録日 | 2023-07-05 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
|
|
8A39
 | | Crystal Structure of PaaX from Escherichia coli W | | 分子名称: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | | 著者 | Molina, R, Alba-Perez, A, Hermoso, J.A. | | 登録日 | 2022-06-07 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
|
|
6Y2S
 | |
2JDZ
 | | Crystal structure of recombinant Dioclea guianensis lectin complexed with 5-bromo-4-chloro-3-indolyl-a-D-mannose | | 分子名称: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CADMIUM ION, CALCIUM ION, ... | | 著者 | Nagano, C.S, Sanz, L, Cavada, B.S, Calvete, J.J. | | 登録日 | 2007-01-12 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Insights Into the Structural Basis of the Ph-Dependent Dimer-Tetramer Equilibrium Through Crystallographic Analysis of Recombinant Diocleinae Lectins.
Biochem.J., 409, 2008
|
|
2JE7
 | | Crystal structure of recombinant Dioclea guianensis lectin S131H complexed with 5-bromo-4-chloro-3-indolyl-a-D-mannose | | 分子名称: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, LECTIN ALPHA CHAIN, ... | | 著者 | Nagano, C.S, Sanz, L, Cavada, B.S, Calvete, J.J. | | 登録日 | 2007-01-15 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Insights Into the Structural Basis of the Ph- Dependent Dimer-Tetramer Equilibrium Through Crystallographic Analysis of Recombinant Diocleinae Lectins.
Biochem.J., 409, 2008
|
|
