PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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5B49	Crystal structure of LpxH with manganese from Pseudomonas aeruginosa 分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, MANGANESE (II) ION, ... 著者 Okada, C, Wakabayashi, H, Yao, M, Tanaka, I. 登録日 2016-04-03 公開日 2016-09-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa Sci Rep, 6, 2016
4MJS	crystal structure of a PB1 complex 分子名称: 1,2-ETHANEDIOL, Protein kinase C zeta type, Sequestosome-1 著者 Ren, J, Wang, Z.X, Wu, J.W. 登録日 2013-09-04 公開日 2014-08-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural and biochemical insights into the homotypic PB1-PB1 complex between PKC zeta and p62 Sci China Life Sci, 57, 2014
4MK8	Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... 著者 Harris, S.F, Wong, A. 登録日 2013-09-04 公開日 2013-10-09 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
4MK6	Crystal Structure of Probable Dihydroxyacetone Kinase Regulator DHSK_reg from Listeria monocytogenes EGD-e 分子名称: 1,2-ETHANEDIOL, Probable Dihydroxyacetone Kinase Regulator DHSK_reg 著者 Kim, Y, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2013-09-04 公開日 2013-09-18 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Crystal Structure of Probable Dihydroxyacetone Kinase Regulator DHSK_reg from Listeria monocytogenes EGD-e To be Published
6IZO	Crystal structure of DNA polymerase sliding clamp from Caulobacter crescentus 分子名称: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER 著者 Jiang, X, Zhang, L, Teng, M, Li, X. 登録日 2018-12-20 公開日 2019-11-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication. Febs J., 287, 2020
5EXP	AAA+ domain of FleQ from Pseudomonas aeruginosa 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Transcriptional regulator FleQ 著者 Navarro, M.V.A.S, Sondermann, H, Matsuyama, B.Y. 登録日 2015-11-24 公開日 2016-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 113, 2016
8CRV	Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa 分子名称: 1,2-ETHANEDIOL, Carbamate kinase, FORMIC ACID, ... 著者 Kim, Y, Skarina, T, Mesa, N, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2022-05-11 公開日 2022-08-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa To Be Published
4QDG	Crystal structure of a putative adhesin (BT2657) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution (PSI Community Target, Nakayama) 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Putative adhesin 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-05-13 公開日 2014-06-11 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A Distinct Type of Pilus from the Human Microbiome. Cell, 165, 2016
5SB2	DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2% 分子名称: 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION 著者 Stihle, M, Richter, H, Benz, J, Kocer, B, Hochstrasser, R, Rudolph, M.G. 登録日 2021-06-22 公開日 2022-06-29 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structure of a DDR1 complex To be published
5SB1	DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4% 分子名称: 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION 著者 Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. 登録日 2021-06-22 公開日 2022-06-29 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Crystal Structure of a DDR1 complex To be published
6PAI	Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and sulfonamide E7820 分子名称: 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DDB1- and CUL4-associated factor 15, ... 著者 Volkov, O.A, Du, X. 登録日 2019-06-11 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Basis and Kinetic Pathway of RBM39 Recruitment to DCAF15 by a Sulfonamide Molecular Glue E7820. Structure, 27, 2019
6S98	Crystal structure of the catalytic domain of UBE2S WT. 分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ... 著者 Liess, A.K.L, Lorenz, S. 登録日 2019-07-11 公開日 2020-10-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S. Sci.Signal., 13, 2020
5F0H	Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution 分子名称: 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR 著者 Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. 登録日 2015-11-27 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
4MR3	Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) 分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-09-17 公開日 2013-11-27 最終更新日 2025-03-12 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
5EZG	Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide 著者 Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. 登録日 2015-11-26 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
6S9W	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2019-07-15 公開日 2019-10-16 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity. Angew.Chem.Int.Ed.Engl., 58, 2019
3HFU	Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide 分子名称: 1,2-ETHANEDIOL, AZIDE ION, HTH-type transcriptional regulator cynR 著者 Singer, A.U, Evdokimova, E, Kagan, O, Dong, A, Edwards, A.M, Savchenko, A. 登録日 2009-05-12 公開日 2009-06-09 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide TO BE PUBLISHED
9FHZ	Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex unsaturated guluronic acid tetramer at pH 3.5 分子名称: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Alginate lyase family protein, ... 著者 Tandrup, T, Wilkens, C. 登録日 2024-05-28 公開日 2025-07-09 最終更新日 2025-07-16 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 147, 2025
6SA1	Post catalytic complex of Prim-PolC from Mycobacterium smegmatis with gapped DNA and 3'-dUTP 分子名称: 1,2-ETHANEDIOL, 3'-DEOXY-URIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*CP*TP*CP*GP*CP*AP*AP*CP*GP*CP*A)-3'), ... 著者 Brissett, N.C, Doherty, A.J. 登録日 2019-07-15 公開日 2020-11-18 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Molecular basis for DNA repair synthesis on short gaps by mycobacterial Primase-Polymerase C. Nat Commun, 11, 2020
6SAN	SALSA / DMBT1 / GP340 SRCR domain 8 soaked in calcium and magnesium 分子名称: CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... 著者 Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M. 登録日 2019-07-17 公開日 2020-03-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
4MJU	Influenza Neuraminidase in complex with a novel antiviral compound 分子名称: (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid, CALCIUM ION, Neuraminidase 著者 Kerry, P.S. 登録日 2013-09-04 公開日 2014-01-15 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
4EP5	Thermus thermophilus RuvC structure 分子名称: Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, SULFATE ION 著者 Chen, L, Shi, K, Yin, Z.Q, Aihara, H. 登録日 2012-04-17 公開日 2012-11-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution. Nucleic Acids Res., 41, 2013
6PIX	Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-5 (WK-25) 分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ... 著者 Zephyr, J, Schiffer, C.A. 登録日 2019-06-27 公開日 2020-03-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors. Mbio, 11, 2020
3WBA	Rice Os3BGlu6 E178Q with Covalent Glucosyl Moiety from p-nitrophenyl glucopyranoside. 分子名称: Beta-glucosidase 6, GLYCEROL, alpha-D-glucopyranose 著者 Sansenya, S, Hua, Y, Cairns, J.R.K. 登録日 2013-05-14 公開日 2013-09-04 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Enzymatic and structural characterization of hydrolysis of gibberellin A4 glucosyl ester by a rice beta-d-glucosidase Arch.Biochem.Biophys., 537, 2013
5SE1	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nn(cc1NC(c2nc(ccc2Nc3cncnc3)C4CC4)=O)C)C(=O)N(C)C, micromolar IC50=0.031527 分子名称: 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. 登録日 2022-01-21 公開日 2022-10-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022

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