PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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6DHU	Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak 分子名称: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-21 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
6DIE	Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak 分子名称: 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-23 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
6D8N	Group I self-splicing intron P4-P6 domain mutant G134A/U185AA 分子名称: Group I self-splicing intron, MAGNESIUM ION 著者 Shoffner, G.M. 登録日 2018-04-26 公開日 2018-07-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.95427132 Å) 主引用文献 In Crystallo Selection to Establish New RNA Crystal Contacts. Structure, 26, 2018
6DIQ	Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23) 分子名称: GLYCEROL, NS3 protease, SULFATE ION, ... 著者 Matthew, A.N, Schiffer, C.A. 登録日 2018-05-23 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.579 Å) 主引用文献 Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
6DIW	Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71) 分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ... 著者 Matthew, A.N, Schiffer, C.A. 登録日 2018-05-23 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
6D8V	Methyl-accepting Chemotaxis protein X 分子名称: 1,1-DIMETHYL-PROLINIUM, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Probable chemoreceptor (Methyl-accepting chemotaxis) transmembrane protein 著者 Shrestha, M, Schubot, F.D. 登録日 2018-04-27 公開日 2019-04-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of the sensory domain of McpX fromSinorhizobium meliloti, the first known bacterial chemotactic sensor for quaternary ammonium compounds. Biochem. J., 475, 2018
6DJ3	Crystal structure of CNNM2 cyclic nucleotide-binding homology domain 分子名称: 1,2-ETHANEDIOL, Metal transporter CNNM2 著者 Chen, Y.S, Gehring, K. 登録日 2018-05-24 公開日 2018-10-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The cyclic nucleotide-binding homology domain of the integral membrane protein CNNM mediates dimerization and is required for Mg2+efflux activity. J. Biol. Chem., 293, 2018
6DJF	Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-25 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
6DJY	Fako virus 分子名称: Clamp protein, Major capsid protein, Turret protein 著者 Kaelber, J.T, Jiang, W, Weaver, S.C, Auguste, A.J, Chiu, W. 登録日 2018-05-27 公開日 2019-06-05 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 The polymerase organization of Fako virus To be Published
6DL7	Human mitochondrial ClpP in complex with ONC201 (TIC10) 分子名称: 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial 著者 Halgas, O, Zarabi, S.F, Schimmer, A, Pai, E.F. 登録日 2018-05-31 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality. Cancer Cell, 35, 2019
6DM3	Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila, apoprotein 分子名称: RavO 著者 Stogios, P.J, Evdokimova, E, Di Leo, R, Kaneko, T, Li, S, Savchenko, A, Midwest Center for Structural Genomics (MCSG) 登録日 2018-06-04 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila, apoprotein To Be Published
6DMG	A multiconformer ligand model of EK6 bound to ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. 登録日 2018-06-05 公開日 2018-12-19 最終更新日 2019-04-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
6DMX	HBZ56 in complex with KIX and c-Myb 分子名称: BZIP factor, CREB-binding protein, Transcriptional activator Myb 著者 Yang, K, Wright, P.E, Stanfield, R.L. 登録日 2018-06-05 公開日 2018-09-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DNE	Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660 分子名称: Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} 著者 Ren, C, Zhou, M.M. 登録日 2018-06-06 公開日 2018-07-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.958 Å) 主引用文献 Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DNQ	HBZ77 in complex with KIX and c-Myb 分子名称: 1,2-ETHANEDIOL, BZIP factor, CREB-binding protein, ... 著者 Yang, K, Wright, P.E, Stanfield, R.L. 登録日 2018-06-07 公開日 2018-09-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DQ6	LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ... 著者 Horton, J.R, Cheng, X. 登録日 2018-06-10 公開日 2018-11-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.587 Å) 主引用文献 Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
6DQF	LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid 分子名称: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION 著者 Horton, J.R, Cheng, X. 登録日 2018-06-10 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.688 Å) 主引用文献 To be determined To Be Published
5KIS	YenB/RHS2 complex 分子名称: CALCIUM ION, CHLORIDE ION, RHS2, ... 著者 Busby, J.N, Hurst, M.R.H, Lott, J.S. 登録日 2016-06-16 公開日 2017-08-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure of a new BC complex from Yersinia entomophaga To Be Published
6DET	The crystal structure of Tv2483 bound to L-arginine 分子名称: ARGININE, Tv2483 著者 Brautigam, C.A, Norgard, M.V. 登録日 2018-05-13 公開日 2019-03-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Biophysical insights into a highly selective l-arginine-binding lipoprotein of a pathogenic treponeme. Protein Sci., 27, 2018
6DEX	Structure of Eremothecium gossypii Shu1:Shu2 complex 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MAGNESIUM ION, Suppressor of hydroxyurea sensitivity protein 1, ... 著者 Singh, N, Corbett, K.D. 登録日 2018-05-13 公開日 2018-05-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of Eremothecium gossypii Shu1:Shu2 complex To Be Published
5KKG	Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family 分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... 著者 Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. 登録日 2016-06-21 公開日 2017-07-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.608 Å) 主引用文献 Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
6DFR	CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE 分子名称: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Bystroff, C, Oatley, S.J, Kraut, J. 登録日 1988-10-21 公開日 1990-07-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state. Biochemistry, 29, 1990
5KKX	Crystal structure of a TbpB C-lobe mutant from Neisseria meningitidis M982 分子名称: GLYCEROL, TbpB 著者 Calmettes, C, Moraes, T.F. 登録日 2016-06-23 公開日 2017-07-19 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Engineered hybrid transferrin binding protein antigens for protection against Neisseria meningitidis to be published
6D59	Ras:SOS:Ras in complex with a small molecule activator 分子名称: 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Hodges, T, Fesik, S.W. 登録日 2018-04-19 公開日 2018-09-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
6DJE	Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 分子名称: 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-25 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.705 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019

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