PDB: 20505 resultsInfo pagesStatus searchChemie searchBIRD

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8I43	Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3GC-uucg Authors: Ichijo, R, Kamimura, T, Kawai, G. Deposit date: 2023-01-18 Release date: 2023-03-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues. Front Mol Biosci, 10, 2023
8I44	Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3AU-uucg Authors: Ichijo, R, Kamimura, T, Kawai, G. Deposit date: 2023-01-18 Release date: 2023-03-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues. Front Mol Biosci, 10, 2023
8I45	Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3GC-uucg Authors: Ichijo, R, Kamimura, T, Kawai, G. Deposit date: 2023-01-18 Release date: 2023-03-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues. Front Mol Biosci, 10, 2023
8IFO	Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter Descriptor: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ... Authors: Xu, T, Zhen, X, Liu, J. Deposit date: 2023-02-19 Release date: 2023-03-29 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element. Biochem.Biophys.Res.Commun., 656, 2023
8I46	Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3AU-uucg Authors: Ichijo, R, Kamimura, T, Kawai, G. Deposit date: 2023-01-18 Release date: 2023-03-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues. Front Mol Biosci, 10, 2023
4UNR	Mtb TMK in complex with compound 23 Descriptor: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-30 Release date: 2015-06-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
4UNN	Mtb TMK in complex with compound 8 Descriptor: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-29 Release date: 2015-06-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
7ZOT	crystal structure of PLAAT4 N-terminal domain Descriptor: DI(HYDROXYETHYL)ETHER, Phospholipase A and acyltransferase 4 Authors: von Castelmur, E, Perrakis, A, Cornaciu, I. Deposit date: 2022-04-26 Release date: 2022-10-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.735 Å) Cite: Crystal structure of the phospholipase A and acyltransferase 4 (PLAAT4) catalytic domain. J.Struct.Biol., 214, 2022
6X7D	BRD4 Bromodomain 1 in complex with multi-action inhibitor SF2523P Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 Authors: Vann, K.R, Kutateladze, T.G. Deposit date: 2020-05-29 Release date: 2020-08-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets. Sci Rep, 10, 2020
6V9N	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Descriptor: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.648 Å) Cite: Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
4UN2	Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin Descriptor: UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2 Authors: Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L. Deposit date: 2014-05-23 Release date: 2014-08-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.51 Å) Cite: A Designed Conformational Shift to Control Protein Binding Specificity. Angew.Chem.Int.Ed.Engl., 53, 2014
1VKL	RABBIT MUSCLE PHOSPHOGLUCOMUTASE Descriptor: NICKEL (II) ION, PHOSPHOGLUCOMUTASE Authors: Ray Junior, W.J, Baranidharan, S, Liu, Y. Deposit date: 1996-07-03 Release date: 1997-01-11 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural changes at the metal ion binding site during the phosphoglucomutase reaction. Biochemistry, 32, 1993
4UP0	Ternary crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a H3K4me2 peptide Descriptor: HISTONE H3.1, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ... Authors: Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M. Deposit date: 2014-06-11 Release date: 2014-11-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger. Acs Chem.Biol., 9, 2014
4UCP	CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine, TETRADECANOYL-COA Authors: Robinson, D.A, Wyatt, P.G. Deposit date: 2014-12-04 Release date: 2015-05-13 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase Acta Crystallogr.,Sect.F, 71, 2015
6XWW	Constitutive decay element CDE1 from human 3'UTR Descriptor: CDE1 Authors: Schwalbe, H, Binas, O. Deposit date: 2020-01-24 Release date: 2020-05-27 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structural basis for the recognition of transiently structured AU-rich elements by Roquin. Nucleic Acids Res., 48, 2020
6XXS	Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1 corepressor peptide. Descriptor: B-cell lymphoma 6 protein, Nuclear receptor corepressor 1 Authors: Zacharchenko, T, Wright, S.C. Deposit date: 2020-01-28 Release date: 2020-12-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone. Iucrj, 8, 2021
4UCN	CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT Descriptor: 2-PIPERAZIN-1-YL-ANILINE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA Authors: Robinson, D.A, Wyatt, P.G. Deposit date: 2014-12-04 Release date: 2015-05-13 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase Acta Crystallogr.,Sect.F, 71, 2015
6X88	PDE6 chicken GAF domain Descriptor: Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' Authors: Ke, H. Deposit date: 2020-06-01 Release date: 2020-11-04 Method: X-RAY DIFFRACTION (3.1997447 Å) Cite: Structural Analysis of the Regulatory GAF Domains of cGMP Phosphodiesterase Elucidates the Allosteric Communication Pathway. J.Mol.Biol., 432, 2020
8IF5	AFB1-AF26 APTAMER COMPLEX Descriptor: AFB1 DNA aptamer (26-MER), AFLATOXIN B1 Authors: Xu, G.H, Wang, C, Li, C.G. Deposit date: 2023-02-17 Release date: 2023-07-19 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structural basis for high-affinity recognition of aflatoxin B1 by a DNA aptamer. Nucleic Acids Res., 51, 2023
4UNP	Mtb TMK in complex with compound 34 Descriptor: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-30 Release date: 2015-01-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
4UNQ	Mtb TMK in complex with compound 36 Descriptor: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-30 Release date: 2015-06-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
4UNS	Mtb TMK in complex with compound 40 Descriptor: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-30 Release date: 2015-06-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
6XYD	Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... Authors: Roske, Y, Heinemann, U, Andrea, E.D. Deposit date: 2020-01-30 Release date: 2020-06-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi. J.Struct.Biol., 211, 2020
6XYX	Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD corepressor peptide Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, Nuclear receptor corepressor 1, ... Authors: Zacharchenko, T, Wright, S.C. Deposit date: 2020-01-31 Release date: 2020-12-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone. Iucrj, 8, 2021
6XXB	Constitutive decay element CDE1 from human 3'UTR Descriptor: CDE1 Authors: Schwalbe, H, Binas, O. Deposit date: 2020-01-27 Release date: 2020-05-27 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structural basis for the recognition of transiently structured AU-rich elements by Roquin. Nucleic Acids Res., 48, 2020

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