6SO2
| Fragment N13460a in complex with MAP kinase p38-alpha | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-28 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SPL
| Fragment KCL615 in complex with MAP kinase p38-alpha | 分子名称: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-09-01 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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1OKW
| Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | 分子名称: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | 登録日 | 2003-07-31 | 公開日 | 2003-12-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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1OIT
| Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | 分子名称: | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | 著者 | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | 登録日 | 2003-06-24 | 公開日 | 2003-09-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
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1OIQ
| Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE | 著者 | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | 登録日 | 2003-06-24 | 公開日 | 2003-09-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
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3LUE
| Model of alpha-actinin CH1 bound to F-actin | 分子名称: | Actin, cytoplasmic 1, Alpha-actinin-3 | 著者 | Galkin, V.E, Orlova, A, Salmazo, A, Djinovic-Carugo, K, Egelman, E.H. | 登録日 | 2010-02-17 | 公開日 | 2010-04-28 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (15 Å) | 主引用文献 | Opening of tandem calponin homology domains regulates their affinity for F-actin. Nat.Struct.Mol.Biol., 17, 2010
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3VBV
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3VBQ
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1PF8
| Crystal Structure of Human Cyclin-Dependent Kinase 2 Complexed with a Nucleoside Inhibitor | 分子名称: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cell division protein kinase 2 | 著者 | Moshinsky, D.J, Bellamacina, R.C, Boisvert, D.C, Huang, P, Hui, T, Jancarik, J, Kim, S.H, Rice, A.G. | 登録日 | 2003-05-24 | 公開日 | 2003-12-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | SU9516: biochemical analysis of cdk inhibition and crystal structure in complex with cdk2. Biochem.Biophys.Res.Commun., 310, 2003
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6SO1
| Fragment N13569a in complex with MAP kinase p38-alpha | 分子名称: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-28 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SOI
| Fragment N13788a in complex with MAP kinase p38-alpha | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-29 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SOT
| Fragment N11290a in complex with MAP kinase p38-alpha | 分子名称: | 1,2-ETHANEDIOL, 1-(4-methylphenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-29 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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7VSY
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3VBY
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6SO4
| Fragment RZ132 in complex with MAP kinase p38-alpha | 分子名称: | (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-29 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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4N12
| Crystal structure of human E18D DJ-1 in complex with Cu | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 | 著者 | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | 登録日 | 2013-10-03 | 公開日 | 2014-03-05 | 最終更新日 | 2014-11-12 | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | 主引用文献 | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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6SFK
| Crystal structure of p38 alpha in complex with compound 81 (MCP42) | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-01 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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3VBW
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4RWV
| Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution | 分子名称: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology, Partnership for Stem Cell Biology (STEMCELL) | 登録日 | 2014-12-05 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | 主引用文献 | Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution To be published
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6SXO
| Cryo-EM structure of the human Ebp1-ribosome complex | 分子名称: | 28S ribosomal RNA including ES27L-B (2839-3265), 5.8S ribosomal RNA, 60S ribosomal protein L19, ... | 著者 | Wild, K, Aleksic, M, Pfeffer, M, Sinning, I. | 登録日 | 2019-09-26 | 公開日 | 2020-02-19 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | MetAP-like Ebp1 occupies the human ribosomal tunnel exit and recruits flexible rRNA expansion segments. Nat Commun, 11, 2020
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3MHS
| Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ... | 著者 | Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C. | 登録日 | 2010-04-08 | 公開日 | 2010-04-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural insights into the assembly and function of the SAGA deubiquitinating module. Science, 328, 2010
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2UYE
| Double mutant Y110S,F111V DntR from Burkholderia sp. strain DNT in complex with thiocyanate | 分子名称: | GLYCEROL, REGULATORY PROTEIN, THIOCYANATE ION | 著者 | Lonneborg, R, Smirova, I, Dian, C, leonard, G.A, McSweeney, S, Brzezinski, P. | 登録日 | 2007-04-04 | 公開日 | 2007-08-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | In Vivo and in Vitro Investigation of Transcriptional Regulation by Dntr. J.Mol.Biol., 372, 2007
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3MHH
| Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module | 分子名称: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | 著者 | Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C. | 登録日 | 2010-04-08 | 公開日 | 2010-04-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural insights into the assembly and function of the SAGA deubiquitinating module. Science, 328, 2010
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4RVO
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6TCA
| Phosphorylated p38 and MAPKAPK2 complex with inhibitor | 分子名称: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | 著者 | Sok, P, Remenyi, A. | 登録日 | 2019-11-05 | 公開日 | 2020-07-22 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure, 28, 2020
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