PDB: 47038 resultsInfo pagesStatus searchChemie searchBIRD

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6JBC	Phosphotransferase related to CoA biosynthesis pathway Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... Authors: Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. Deposit date: 2019-01-25 Release date: 2020-01-29 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of pantoate kinase from Thermococcus kodakarensis. Proteins, 88, 2020
6JDI	Central domain of FleQ H287N mutant in complex with ATPgS and Mg Descriptor: MAGNESIUM ION, Nitrogen assimilation regulatory protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Jain, D, Banerjee, P, Chanchal Deposit date: 2019-02-01 Release date: 2019-11-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Sensor I Regulated ATPase Activity of FleQ Is Essential for Motility to Biofilm Transition inPseudomonas aeruginosa. Acs Chem.Biol., 14, 2019
6JDL	Central domain of FleQ H287A mutant in complex with ATPgS and Mg Descriptor: MAGNESIUM ION, Nitrogen assimilation regulatory protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Jain, D, Banerjee, P, Chanchal Deposit date: 2019-02-01 Release date: 2019-11-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.249 Å) Cite: Sensor I Regulated ATPase Activity of FleQ Is Essential for Motility to Biofilm Transition inPseudomonas aeruginosa. Acs Chem.Biol., 14, 2019
3CTD	Crystal structure of a putative AAA family ATPase from Prochlorococcus marinus subsp. pastoris Descriptor: Putative ATPase, AAA family Authors: Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2008-04-11 Release date: 2008-04-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of a putative AAA family ATPase from Prochlorococcus marinus subsp. pastoris. To be Published
3VBX	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
6JBD	Phosphotransferase-ATP complex related to CoA biosynthesis pathway Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... Authors: Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. Deposit date: 2019-01-25 Release date: 2020-01-29 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of pantoate kinase from Thermococcus kodakarensis. Proteins, 88, 2020
3VC4	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-03 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
1S2E	BACTERIOPHAGE T4 GENE PRODUCT 9 (GP9), THE TRIGGER OF TAIL CONTRACTION AND THE LONG TAIL FIBERS CONNECTOR, ALTERNATIVE FIT OF THE FIRST 19 RESIDUES Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Baseplate structural protein Gp9 Authors: Kostyuchenko, V.A, Navruzbekov, G.A, Kurochkina, L.P, Strelkov, S.V, Mesyanzhinov, V.V, Rossmann, M.G. Deposit date: 2004-01-08 Release date: 2004-01-13 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The Structure of Bacteriophage T4 Gene Product 9: The Trigger for Tail Contraction Structure Fold.Des., 7, 1999
3VBT	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
8D3F	Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST Descriptor: Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST Authors: Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D. Deposit date: 2022-06-01 Release date: 2022-07-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.97 Å) Cite: The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment. Nat Commun, 13, 2022
3VBV	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
5LCJ	In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate Authors: O'Reilly, M, Wright, D. Deposit date: 2016-06-22 Release date: 2016-07-20 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.78 Å) Cite: In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor. Mol Biosyst, 12, 2016
5LCK	A Clickable Covalent ERK 1/2 Inhibitor Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide Authors: O'Reilly, M, Wright, D. Deposit date: 2016-06-22 Release date: 2016-07-20 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.89 Å) Cite: In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor. Mol Biosyst, 12, 2016
3VBQ	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
6HQA	Molecular structure of promoter-bound yeast TFIID Descriptor: Histone-fold, Subunit (17 kDa) of TFIID and SAGA complexes, involved in RNA polymerase II transcription initiation, ... Authors: Kolesnikova, O, Ben-Shem, A, Luo, J, Ranish, J, Schultz, P, Papai, G. Deposit date: 2018-09-24 Release date: 2018-11-21 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (7.1 Å) Cite: Molecular structure of promoter-bound yeast TFIID. Nat Commun, 9, 2018
6KGM	LSD1-CoREST-S2116 five-membered ring adduct model Descriptor: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... Authors: Niwa, H, Sato, S, Umehara, T. Deposit date: 2019-07-12 Release date: 2020-03-25 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.62 Å) Cite: Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
3VBY	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
6K02	Crystal structure of ceNAP1 core Descriptor: Nucleosome Assembly Protein, ZINC ION Authors: Liu, Y.R. Deposit date: 2019-05-05 Release date: 2019-10-09 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.162 Å) Cite: Crystal structure of xlH2A-H2B Structure, 2019
6K4N	Cryo-EM structure of p300 Descriptor: Histone acetyltransferase p300 Authors: Ghosh, R, Roy, S, Sengupta, J. Deposit date: 2019-05-24 Release date: 2019-06-19 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (9.8 Å) Cite: Tumor Suppressor p53-Mediated Structural Reorganization of the Transcriptional Coactivator p300. Biochemistry, 58, 2019
7M05	CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988 Descriptor: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide, Methylosome protein 50, Protein arginine N-methyltransferase 5 Authors: McMillan, B.J, McKinney, D.C, Timm, D.E. Deposit date: 2021-03-10 Release date: 2021-03-17 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (2.39 Å) Cite: Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction. J.Med.Chem., 64, 2021
3VBW	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
8D82	Cryo-EM structure of human IL-6 signaling complex in detergent: model containing full extracellular domains Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6, ... Authors: Zhou, Y, Franklin, M.C. Deposit date: 2022-06-07 Release date: 2023-03-29 Last modified: 2024-11-13 Method: ELECTRON MICROSCOPY (3.22 Å) Cite: Structural insights into the assembly of gp130 family cytokine signaling complexes. Sci Adv, 9, 2023
1TZV	T. maritima NusB, P3121, Form 1 Descriptor: N utilization substance protein B homolog Authors: Bonin, I, Robelek, R, Benecke, H, Urlaub, H, Bacher, A, Richter, G, Wahl, M.C. Deposit date: 2004-07-12 Release date: 2004-08-31 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal structures of the antitermination factor NusB from Thermotoga maritima and implications for RNA binding Biochem.J., 383, 2004
6K5W	Solution structure of the chromodomain of yeast Eaf3 Descriptor: Chromatin modification-related protein EAF3 Authors: Okuda, M, Nishimura, Y. Deposit date: 2019-05-31 Release date: 2020-02-26 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: The Eaf3 chromodomain acts as a pH sensor for gene expression by altering its binding affinity for histone methylated-lysine residues. Biosci.Rep., 40, 2020
4BZN	Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor Descriptor: N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide, SERINE/THREONINE-PROTEIN KINASE PIM-1 Authors: Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. Deposit date: 2013-07-29 Release date: 2013-10-30 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases. Bioorg.Med.Chem., 21, 2013

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