PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

---

1H25	CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, RETINOBLASTOMA-ASSOCIATED PROTEIN 著者 Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. 登録日 2002-07-31 公開日 2003-02-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A Biochemistry, 41, 2002
3GYB	Crystal structure of a LacI-family transcriptional regulatory protein from Corynebacterium glutamicum 分子名称: MAGNESIUM ION, Transcriptional regulators (LACI-FAMILY TRANSCRIPTIONAL REGULATORY PROTEIN) 著者 Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2009-04-03 公開日 2009-04-14 最終更新日 2021-02-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of a LacI-family transcriptional regulatory protein from Corynebacterium glutamicum To be Published
1H24	CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, TRANSCRIPTION FACTOR E2F1 著者 Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. 登録日 2002-07-31 公開日 2003-02-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A Biochemistry, 41, 2002
5X14	Crystal structure of Bacillus subtilis PadR in complex with ferulic acid 分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, Transcriptional regulator 著者 Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. 登録日 2017-01-24 公開日 2017-11-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR Nucleic Acids Res., 45, 2017
5X13	Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid 分子名称: 4'-HYDROXYCINNAMIC ACID, GLYCEROL, Transcriptional regulator 著者 Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. 登録日 2017-01-24 公開日 2017-11-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR Nucleic Acids Res., 45, 2017
1MY5	NF-kappaB p65 subunit dimerization domain homodimer 分子名称: NF-kappaB p65 (RelA) subunit 著者 Huxford, T, Mishler, D, Phelps, C.B, Huang, D.-B, Sengchanthalangsy, L.L, Reeves, R, Hughes, C.A, Komives, E.A, Ghosh, G. 登録日 2002-10-03 公開日 2002-12-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Solvent exposed non-contacting amino acids play a critical role in NF-kappaB/I kappaB alpha complex formation J.Mol.Biol., 324, 2002
2WMB	Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, LINEAR RKLFD, ... 著者 Robertson, G.F, Endicott, J.A, Noble, M.E.M, McDonnell, J.M. 登録日 2009-06-30 公開日 2010-09-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural and Thermodynamic Consequences of Cyclization of Peptide Ligands for the Recruitment Site of Cyclin A To be Published
5O8V	Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C 分子名称: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide 著者 Buehrmann, M, Rauh, D. 登録日 2017-06-14 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
5O90	Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 著者 Nichols, C.E, De Nicola, G.F, Thapa, D. 登録日 2017-06-15 公開日 2018-01-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185. Mol. Cell. Biol., 38, 2018
1H26	CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 分子名称: CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2 著者 Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. 登録日 2002-07-31 公開日 2003-02-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A Biochemistry, 41, 2002
5NZZ	Crystal structure of phosphorylated p38aMAPK in complex with TAB1 分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2017-05-15 公開日 2018-05-30 最終更新日 2018-09-19 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules. JCI Insight, 3, 2018
6B9T	Crystal structure of MPnS with substrate 2-hydroxyethylphosphonate (2-HEP) and Fe(II) bound 分子名称: (2-hydroxyethyl)phosphonic acid, FE (III) ION, FORMIC ACID, ... 著者 Born, D.A, Drennan, C.L. 登録日 2017-10-11 公開日 2017-12-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural basis for methylphosphonate biosynthesis. Science, 358, 2017
2X1N	Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design 分子名称: 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... 著者 Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. 登録日 2009-12-31 公開日 2010-02-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors. J.Med.Chem., 53, 2010
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
2WIH	STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... 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 2009-05-13 公開日 2009-07-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 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
6B9S	MPnS crystallized in the absence of substrate 分子名称: FE (III) ION, Methylphosphonate synthase 著者 Born, D.A, Drennan, C.L. 登録日 2017-10-11 公開日 2017-12-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.373 Å) 主引用文献 Structural basis for methylphosphonate biosynthesis. Science, 358, 2017
4MTN	Crystal structure of transcription termination factor NusA from Planctomyces limnophilus DSM 3776 分子名称: SULFATE ION, Transcription termination factor NusA 著者 Chang, C, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2013-09-19 公開日 2013-10-02 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (2.579 Å) 主引用文献 Crystal structure of transcription termination factor NusA from Planctomyces limnophilus DSM 3776 TO BE PUBLISHED
5O8U	Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C 分子名称: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14 著者 Buehrmann, M, Rauh, D. 登録日 2017-06-14 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
5FFZ	S. aureus MepR bound to ethidium bromide 分子名称: ETHIDIUM, MarR family regulatory protein, POTASSIUM ION 著者 Birukou, I, Newman, C.E, Brennan, R.G. 登録日 2015-12-19 公開日 2016-12-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.585 Å) 主引用文献 S. aureus MepR bound to ethidium bromide To Be Published
2WPA	Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... 著者 Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. 登録日 2009-08-03 公開日 2010-02-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem., 18, 2010
5R93	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL077 in complex with MAP kinase p38-alpha 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.489 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
5R9K	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14246a in complex with MAP kinase p38-alpha 分子名称: 2,3-dihydro-1-benzoxepine-5-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.498 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
5RA2	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N09036b in complex with MAP kinase p38-alpha 分子名称: 1-(3-methylpyridin-2-yl)-1,4-diazepane, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.57 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
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
1L2F	Crystal structure of NusA from Thermotoga maritima: a structure-based role of the N-terminal domain 分子名称: N utilization substance protein A 著者 Shin, D.H, Nguyen, H.H, Jancarik, J, Yokota, H, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) 登録日 2002-02-20 公開日 2003-09-23 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of NusA from Thermotoga maritima and functional implication of the N-terminal domain. Biochemistry, 42, 2003

<939940941942943944945946947948949950951952953954>