PDB: 183105 件ウェブページステータス検索Chemie searchBIRD

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7ONR	PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) 分子名称: 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION 著者 Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. 登録日 2021-05-25 公開日 2021-09-15 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
4WG5	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647 分子名称: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1 著者 Merritt, E.A. 登録日 2014-09-17 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647 to be published
6Z9V	Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV 分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... 著者 Rizkallah, P.J, Man, S, Redman, J.E. 登録日 2020-06-04 公開日 2021-06-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
8KCM	MmCPDII-DNA complex containing low-dosage, light induced repaired DNA. 分子名称: Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. 登録日 2023-08-08 公開日 2023-11-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Visualizing the DNA repair process by a photolyase at atomic resolution. Science, 382, 2023
6OE2	X-Ray Structure of the C-terminal domain (277-440) of Putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR324A. Re-refinement of 3GGL with correct metal Mn replacing Zn. New metal confirmed with PIXE analysis of original sample. 分子名称: Chitobiase, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION 著者 Snell, E.H, Garman, E.F, Lowe, E.D. 登録日 2019-03-27 公開日 2019-12-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application. J.Am.Chem.Soc., 142, 2020
5KRB	GCNF DNA Binding Domain - Oct4 DR0 Complex 分子名称: DNA (5'-D(*AP*GP*AP*GP*GP*TP*CP*AP*AP*GP*GP*CP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*GP*CP*CP*TP*TP*GP*AP*CP*CP*TP*CP*T)-3'), Nuclear receptor subfamily 6 group A member 1, ... 著者 Weikum, E.R, Ortlund, E.A. 登録日 2016-07-07 公開日 2016-11-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 A Structural Investigation into Oct4 Regulation by Orphan Nuclear Receptors, Germ Cell Nuclear Factor (GCNF), and Liver Receptor Homolog-1 (LRH-1). J. Mol. Biol., 428, 2016
5HP1	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and FOSCARNET, a Pyrophosphate analog 分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, DNA (38-MER), GLYCEROL, ... 著者 Das, K, Arnold, E. 登録日 2016-01-19 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
4X0P	Ternary complex of human DNA polymerase theta C-terminal domain binding ddATP opposite a tetrahydrofuran AP site analog 分子名称: 2',3'-dideoxyadenosine triphosphate, CALCIUM ION, DNA (5'-D(*CP*GP*TP*TP*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), ... 著者 Zahn, K.E, Doublie, S. 登録日 2014-11-21 公開日 2015-03-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.911 Å) 主引用文献 Human DNA polymerase theta grasps the primer terminus to mediate DNA repair. Nat.Struct.Mol.Biol., 22, 2015
7OPQ	Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 分子名称: 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... 著者 Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. 登録日 2021-06-01 公開日 2022-04-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
7OPR	Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. 登録日 2021-06-01 公開日 2022-04-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
6XK9	Cereblon in complex with DDB1, CC-90009, and GSPT1 分子名称: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... 著者 Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P. 登録日 2020-06-25 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.64 Å) 主引用文献 CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells. Blood, 137, 2021
6OBY	The nucleotide-binding protein AF_226 in complex with ADP from Archaeoglobus fulgidus with Co found by PIXE. Based on 3KB1. 分子名称: ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, Iron-sulfur cluster carrier protein 著者 Snell, E.H, Garman, E.F, Lowe, E.D. 登録日 2019-03-21 公開日 2019-12-25 最終更新日 2020-01-22 実験手法 X-RAY DIFFRACTION (2.87 Å) 主引用文献 High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application. J.Am.Chem.Soc., 142, 2020
5I3U	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL 分子名称: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ... 著者 Das, K, Arnold, E. 登録日 2016-02-11 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
5I42	Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion 分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (38-MER), ... 著者 Das, K, Arnold, E. 登録日 2016-02-11 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
4X0G	Structure of Bsg25A binding with DNA 分子名称: ACETATE ION, Blastoderm-specific gene 25A, DNA (5'-D(*GP*TP*TP*CP*CP*AP*AP*TP*TP*GP*GP*AP*A)-3') 著者 Ren, A. 登録日 2014-11-21 公開日 2015-01-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.2065 Å) 主引用文献 Common and distinct DNA-binding and regulatory activities of the BEN-solo transcription factor family. Genes Dev., 29, 2015
5LGY	Lysine 120-acetylated P53 DNA binding domain in a complex with the BAX response element. 分子名称: Cellular tumor antigen p53, DNA (5'-D(*AP*GP*GP*CP*TP*TP*GP*TP*CP*TP*CP*TP*AP*AP*CP*TP*TP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*AP*AP*GP*TP*TP*AP*GP*AP*GP*AP*CP*AP*AP*GP*CP*CP*T)-3'), ... 著者 Arbely, E, Vainer, R. 登録日 2016-07-08 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Structural Basis for p53 Lys120-Acetylation-Dependent DNA-Binding Mode. J.Mol.Biol., 428, 2016
7OXX	CrabP2 mutant R30AK31A 分子名称: Cellular retinoic acid-binding protein 2, SODIUM ION 著者 Tomlinson, C.W.E, Basle, A, Pohl, E. 登録日 2021-06-23 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Structural requirements for the specific binding of CRABP2 to cyclin D3 To Be Published
8F8M	LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 分子名称: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Cato, M.L, Ortlund, E.A. 登録日 2022-11-22 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Isosteric improvements to liver receptor homolog-1 small molecule modulators To Be Published
7OWL	Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP 分子名称: Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE 著者 Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. 登録日 2021-06-18 公開日 2022-09-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
7AB4	Crystal structure of the Escherichia coli toxin-antitoxin system HipBST (HipT S59A) 分子名称: Couple_hipA domain-containing protein, HipA_C domain-containing protein, Predicted transcriptional regulator, ... 著者 Baerentsen, R.L, Brodersen, D.E. 登録日 2020-09-06 公開日 2022-01-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.34 Å) 主引用文献 Structural basis for regulation of a tripartite toxin-antitoxin system by dual phosphorylation Biorxiv, 2022
8C8J	Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP 分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ... 著者 Nichols, C.E, Walpole, T.B, Baldwin, E. 登録日 2023-01-20 公開日 2023-12-20 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
8FFJ	Structure of Zanidatamab bound to HER2 分子名称: Receptor tyrosine-protein kinase erbB-2, Zanidatamab Heavy Chain A, Zanidatamab Heavy Chain B, ... 著者 Worrall, L.J, Atkinson, C.E, Sanches, M, Dixit, S, Strynadka, N.C.J. 登録日 2022-12-08 公開日 2023-02-22 実験手法 ELECTRON MICROSCOPY (7.5 Å) 主引用文献 Zanidatamab, an Anti-HER2 Biparatopic that Induces Unique Surface HER2 Clusters and Complement-Dependent Cytotoxicity To be Published
7NNZ	Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine. 分子名称: 5-methyl-4-phenyl-1,3-thiazol-2-amine, Ornithine carbamoyltransferase, PHOSPHATE ION 著者 Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. 登録日 2021-02-25 公開日 2021-06-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
4WNC	Crystal structure of human wild-type GAPDH at 1.99 angstroms resolution 分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Garcin, E.D. 登録日 2014-10-11 公開日 2014-12-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 A Dimer Interface Mutation in Glyceraldehyde-3-Phosphate Dehydrogenase Regulates Its Binding to AU-rich RNA. J.Biol.Chem., 290, 2015
8FDQ	An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex 分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION 著者 Ogboona, E.N, Wilson, W.D. 登録日 2022-12-04 公開日 2023-02-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023

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