PDB: 45118 件ウェブページステータス検索Chemie searchBIRD

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8I61	Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I 分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... 著者 Raj, P, Paul, A, Gopal, B. 登録日 2023-01-27 公開日 2023-07-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
3RU7	Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase 分子名称: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... 著者 Bhatt, V.S, Guan, W, Wang, P.G. 登録日 2011-05-04 公開日 2011-05-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase TO BE PUBLISHED
8G8A	Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ... 著者 Janus, B.M, Astavans, A, Ofek, G. 登録日 2023-02-17 公開日 2024-05-22 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
8I6B	Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I 分子名称: 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... 著者 Raj, P, Paul, A, Gopal, B. 登録日 2023-01-27 公開日 2023-07-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
8GYR	Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... 著者 Kumar, P, Akif, M. 登録日 2022-09-23 公開日 2023-06-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA, reveals the orientation of Ig-like domains. Int.J.Biol.Macromol., 244, 2023
3RWG	Rhesus macaque MHC class I molecule Mamu-B*17-MW9 分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... 著者 Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F. 登録日 2011-05-09 公開日 2012-03-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus J.Immunol., 187, 2011
1ZEL	Crystal structure of RV2827C protein from Mycobacterium tuberculosis 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, FORMIC ACID, ... 著者 Janowski, R, Panjikar, S, Mueller-dieckmann, J, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) 登録日 2005-04-19 公開日 2006-05-02 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structural analysis reveals DNA binding properties of Rv2827c, a hypothetical protein from Mycobacterium tuberculosis. J Struct Funct Genomics, 10, 2009
3RY9	Crystal Structure of the Resurrected Ancestral Glucocorticoid Receptor 1 in complex with DOC 分子名称: Ancestral Glucocorticoid Receptor 1, DESOXYCORTICOSTERONE, GLYCEROL, ... 著者 Ortlund, E.A. 登録日 2011-05-11 公開日 2011-06-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Mechanisms for the evolution of a derived function in the ancestral glucocorticoid receptor. PLoS Genet, 7, 2011
8G1Q	Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB 分子名称: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... 著者 Ghimire Rijal, S, Wurz, R.P, Vaish, A. 登録日 2023-02-02 公開日 2023-07-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.73 Å) 主引用文献 Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation. Nat Commun, 14, 2023
8IG1	Crystal structure of wild-type transthyretin in complex with rafoxanide 分子名称: SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide 著者 Yokoyama, T. 登録日 2023-02-20 公開日 2023-08-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.451 Å) 主引用文献 Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin. Febs J., 290, 2023
3S18	Crystal structure of a plant albumin from cicer arietinum showing hemagglutination 分子名称: CALCIUM ION, CHLORIDE ION, IODIDE ION, ... 著者 Sharma, U, Suresh, C.G. 登録日 2011-05-14 公開日 2011-07-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of a plant albumin from Cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity Planta, 2015
1XFF	Glutaminase domain of glucosamine 6-phosphate synthase complexed with glutamate 分子名称: ACETATE ION, GLUTAMIC ACID, Glucosamine--fructose-6-phosphate aminotransferase [isomerizing], ... 著者 Isupov, M.N, Teplyakov, A. 登録日 2004-09-14 公開日 2004-09-28 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Substrate Binding is Required for Assembly of the Active Conformation of the Catalytic Site in Ntn Amidotransferases: Evidence from the 1.8 Angstrom Crystal Structure of the Glutaminase Domain of Glucosamine 6-Phosphate Synthase Structure, 4, 1996
3S45	wild-type HIV-2 protease with antiviral drug amprenavir 分子名称: CHLORIDE ION, IMIDAZOLE, Protease, ... 著者 Tie, Y.-F, Wang, Y.-F, Weber, I.T. 登録日 2011-05-18 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
8GN9	SPFH domain of Pyrococcus horikoshii stomatin 分子名称: SODIUM ION, Stomatin homolog PH1511 著者 Komatsu, T, Matsui, I, Yokoyama, H. 登録日 2022-08-23 公開日 2022-12-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural and mutational studies suggest key residues to determine whether stomatin SPFH domains form dimers or trimers. Biochem Biophys Rep, 32, 2022
8GPZ	Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012 分子名称: 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4, FORMIC ACID, ... 著者 Park, T.H, Lee, B.I. 登録日 2022-08-27 公開日 2023-01-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.528 Å) 主引用文献 Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study. Sci Rep, 13, 2023
3S0T	Crystal structure of the CofA Type IV pilin subunit from enterotoxigenic E. coli 分子名称: CFA/III pilin, GLYCEROL, SODIUM ION 著者 Kolappan, S, Craig, L. 登録日 2011-05-13 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Structural Characterization of CFA/III and Longus Type IVb Pili from Enterotoxigenic Escherichia coli. J.Bacteriol., 194, 2012
8GQ0	Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497 分子名称: Bromodomain-containing protein 4, FORMIC ACID, GLYCEROL, ... 著者 Park, T.H, Lee, B.I. 登録日 2022-08-27 公開日 2023-01-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study. Sci Rep, 13, 2023
3S5N	Crystal Structure of Human 4-hydroxy-2-oxoglutarate Aldolase 分子名称: 1,2-ETHANEDIOL, 4-hydroxy-2-oxoglutarate aldolase, mitochondrial, ... 著者 Riedel, T.J, Lowther, W.T. 登録日 2011-05-23 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural and Biochemical Studies of Human 4-hydroxy-2-oxoglutarate Aldolase: Implications for Hydroxyproline Metabolism in Primary Hyperoxaluria. Plos One, 6, 2011
1XJ6	Structure of bjFixLH in the unliganded ferrous form 分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... 著者 Key, J, Moffat, K. 登録日 2004-09-22 公開日 2005-03-29 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling Biochemistry, 44, 2005
8G62	Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 分子名称: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... 著者 Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) 登録日 2023-02-14 公開日 2023-02-22 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
3S8O	Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 分子名称: CHLORIDE ION, Growth factor receptor-bound protein 2, SODIUM ION, ... 著者 Clements, J.H, Stephen, F.M. 登録日 2011-05-29 公開日 2011-11-02 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area. J.Am.Chem.Soc., 133, 2011
8ELK	HRAS R97F Crystal Form 1 分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... 著者 Johnson, C.W, Mattos, C. 登録日 2022-09-26 公開日 2023-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
8ELL	Apo human biliverdin reductase beta (cryogenic) 分子名称: Flavin reductase (NADPH), SODIUM ION 著者 McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. 登録日 2022-09-26 公開日 2023-09-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Front Mol Biosci, 10, 2023
8GSG	T3R3 form of Human insulin with single Zn 分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ... 著者 Zhu, Z.L. 登録日 2022-09-06 公開日 2023-03-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 T3R3 insulin with single Zn To Be Published
8GNE	Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356. 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ... 著者 Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M. 登録日 2022-08-23 公開日 2023-03-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist. Mol.Pharmacol., 103, 2023

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